Ammonium sulfide

CAS 12135-76-1  ·  H₈N₂S  ·  MW 68.15 g/mol

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3D model Ammonium sulfide, CAS 12135-76-1, molecular formula H₈N₂S, molar mass 68.15 g/mol

Model views

  • Ammonium sulfide (CAS 12135-76-1) – ball-and-stick 3D model, MolGod Viewer
    ball-and-stick 3D model
  • Ammonium sulfide (CAS 12135-76-1) – skeletal 3D model, MolGod Viewer
    skeletal 3D model
  • Ammonium sulfide (CAS 12135-76-1) – space-filling 3D model, MolGod Viewer
    space-filling 3D model
  • Ammonium sulfide (CAS 12135-76-1) – 2D structure, MolGod Viewer
    2D structure

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About Ammonium sulfide

Ammonium sulfide is a chemical compound registered under number CAS 12135-76-1, with the molecular formula H₈N₂S, and a molar mass of 68.15 g/mol.

The molecule contains 11 atoms connected by 8 chemical bonds. The full systematic IUPAC name of this compound is diazanium;sulfide. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, polar surface area PSA = 3 Ų, 2 donors and 1 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaH₈N₂S
Molar mass68.15 g/mol
IUPACdiazanium;sulfide
SMILES[NH4+].[NH4+].[S-2]
InChIKeyUYJXRRSPUVSSMN-UHFFFAOYSA-P
logP (XLogP3)—
PSA3 Ų
HBD / HBA2 / 1
PubChem CIDCID 25519 ↗
GHS safety

Signal word: Danger

GHS05
GHS05
GHS06
GHS06

H314 — Causes severe skin burns and eye damage

H301 — Toxic if swallowed

H312 — Harmful in contact with skin

Scientific literature

Related literature

5 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

Filters:Export:📄 BibTeX📑 RIS📋 EndNote🔧 CSL-JSON

📈 Publication timeline (number of articles: 5)

1997: number of articles 119971999: number of articles 12010: number of articles 120102016: number of articles 22016

Bar height = number of articles in a given year. Hover over a bar to see details.

Data from PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary generated by Semantic Scholar TLDR. Articles marked with require paid access.

Synonyms
AMMONIUM SULFIDE · 12135-76-1 · Diammonium sulfide · Ammonium sulphide · Ammonium monosulfide · True ammonium sulfide · Ammonium sulfide, true · DIAMMONIUM SULPHIDE · 2H0Q32TDFZ · Ammonium sulfide ((nh4)2S) · RefChem:112208 · DTXCID001323150 · 235-223-4 · diazanium;sulfide · MFCD00010892
Data sources
Related molecules
📜 License & provenancePREDICTED MODEL · NOT VERIFIEDMolGod_License_1
PREDICTED MODEL — NOT VERIFIED
computed by MolGod Scientific · experimental feature (beta) · may contain errors
ILLUSTRATIVE FRAGMENT ARRANGEMENT — relative positions are not structural data

No source 3-D conformer was available to MolGod for this substance. MolGod Scientific computed this geometry from the structural formula with RDKit 2026.03.6 (ETKDGv3 conformer generation, MMFF94 force-field optimisation; lowest-energy converged conformer of a fixed-seed set). It is not a measured structure, it does not come from PubChem, and it has not been compared with experimental data. It shows one possible conformation.

This substance consists of 3 separate components (for example ions). Each component was computed separately; they are arranged radially around a layout anchor for visualisation only (at least 3.0 Å apart). Their relative positions are not a crystal structure, coordination geometry, ionic contacts or any experimentally determined arrangement.

Methods and references
  1. RDKit: Open-source cheminformatics, version 2026.03.6. Zenodo. doi:10.5281/zenodo.22140358 (all versions: doi:10.5281/zenodo.591637)
  2. Riniker S, Landrum GA. Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation. J. Chem. Inf. Model. 2015, 55, 2562-2574. doi:10.1021/acs.jcim.5b00654
  3. Wang S, Witek J, Landrum GA, Riniker S. Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. J. Chem. Inf. Model. 2020, 60, 2044-2058. doi:10.1021/acs.jcim.0c00025
  4. Halgren TA. Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94. J. Comput. Chem. 1996, 17, 490-519. doi:10.1002/(SICI)1096-987X(199604)17:5/6<490::AID-JCC1>3.0.CO;2-P
  5. Tosco P, Stiefl N, Landrum G. Bringing the MMFF force field to the RDKit: implementation and validation. J. Cheminform. 2014, 6, 37. doi:10.1186/s13321-014-0037-3
  6. Heller SR, McNaught A, Pletnev I, Stein S, Tchekhovskoi D. InChI, the IUPAC International Chemical Identifier. J. Cheminform. 2015, 7, 23. doi:10.1186/s13321-015-0068-4
  7. Kim S, Chen J, Cheng T, et al. PubChem 2025 update. Nucleic Acids Res. 2025, 53, D1516-D1525. doi:10.1093/nar/gkae1059 Compound record: https://pubchem.ncbi.nlm.nih.gov/compound/25519
  8. Bolton EE, Kim S, Bryant SH. PubChem3D: Conformer generation. J. Cheminform. 2011, 3, 4. doi:10.1186/1758-2946-3-4 (cited for contrast: no source 3-D conformer was available to MolGod for this record)
Ammonium sulfide (CAS 12135-76-1), H₈N₂S - 3D ball-and-stick molecular model, engraved element symbols (H N S), MolGod STL previewDownload image

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Ammonium sulfide (CAS 12135-76-1), H₈N₂S - 3D ball-and-stick molecular model, MolGod STL previewDownload image

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Model
Ammonium sulfide · 12135-76-1
InChIKey
UYJXRRSPUVSSMN-UHFFFAOYSA-P
License
CC BY-SA 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific — Ammonium sulfide (CAS 12135-76-1)
License & provenance record
Ammonium sulfide (CAS 12135-76-1) →
MolGod molecule record
Ammonium sulfide →
Source data
PubChem CID 25519 ↗
Model information
STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL)
9728a7e531be8d09fb85855409f615c8e082e6bae7eebbf71e690a87083b4e5d
MD5 (STL)
789bec621d15a940be2b9e74c935cf06
Model identifier
MG-STL-12135-76-1
Transformation
MolGod Scientific ball-and-stick mesh
Changes
PREDICTED geometry computed by MolGod Scientific (RDKit), NOT verified; rendered as a triangulated mesh.
Wikimedia Commons
not published yet

This license applies to the MolGod-created STL mesh, not automatically to third-party source material.

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