2-Thiophenecarbonitrile

Name: 2-Thiophenecarbonitrile (CAS 1003-31-2) — complete chemical dataset
Creator: MolGod.org
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CAS 1003-31-2 · C₅H₃NS · MW 109.15 g/mol

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2D structure

About 2-Thiophenecarbonitrile

2-Thiophenecarbonitrile is a chemical compound registered under number CAS 1003-31-2, with the molecular formula C₅H₃NS, and a molar mass of 109.15 g/mol.

The molecule contains 10 atoms connected by 10 chemical bonds. The full systematic IUPAC name of this compound is thiophene-2-carbonitrile. 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, the partition coefficient logP = 1.3 (positive value, a lipophilic compound), polar surface area PSA = 52 Å², 0 donors and 2 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 interactive 3D model and the viewer images are protected by copyright (© MolGod.org) — terms of use: molgod.org/copyright/.

Physicochemical properties

Molecular formula	C₅H₃NS
Molar mass	109.15 g/mol
IUPAC	thiophene-2-carbonitrile
SMILES	`C1=CSC(=C1)C#N`
InChIKey	`CUPOOAWTRIURFT-UHFFFAOYSA-N`
logP (XLogP3)	1.3
PSA	52 Å²
HBD / HBA	0 / 2
PubChem CID	CID 66087 ↗

GHS safety

Signal word: Danger

GHS02

GHS05

GHS07

H226 — Flammable liquid and vapour

H302 — Harmful if swallowed

H315 — Causes skin irritation

H318 — Causes serious eye damage

H335 — May cause respiratory irritation

Scientific literature

Brak articles naukowych dla CAS 1003-31-2 w PubMed / OpenAlex / Semantic Scholar.

Synonyms

2-Thiophenecarbonitrile · Thiophene-2-carbonitrile · 2-Thenylcyanide · EINECS 213-706-0 · CUPOOAWTRIURFT-UHFFFAOYSA- · RefChem:89464 · DTXCID9065605 · 213-706-0 · CUPOOAWTRIURFT-UHFFFAOYSA-N · 1003-31-2 · 2-Cyanothiophene · MFCD00005416 · Thiophenecarbonitrile · 2-Thiophene carbonitrile · 2-thenonitrile

Data sources

📊 PubChem CID 66087 — NIH
🔬 NIST WebBook — spectroscopy
💊 ChEMBL — bioactivity

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COMPUTED — PubChem3D · 3D conformer computed by PubChem using OMEGA; not an experimental structure.

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2-Thiophenecarbonitrile (CAS 1003-31-2), C5H3NS - 3D ball-and-stick molecular model, engraved element symbols (C H N S), MolGod STL preview

MG_470-842-461-04 · engraved · 146,908 △ · 7 MB · SHA-256 3f2adc5e45b3d081

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2-Thiophenecarbonitrile (CAS 1003-31-2), C5H3NS - 3D ball-and-stick molecular model, MolGod STL preview

MG_470-842-461-04 · normal · 4,544 △ · 222 KB · SHA-256 548ced2abc9a13b5

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Model: 2-Thiophenecarbonitrile · 1003-31-2
InChIKey: CUPOOAWTRIURFT-UHFFFAOYSA-N
License: CC BY-SA 4.0 International
Attribution: MolGod Scientific — 2-Thiophenecarbonitrile (CAS 1003-31-2)
License & provenance record: 2-Thiophenecarbonitrile (CAS 1003-31-2) →
MolGod molecule record: 2-Thiophenecarbonitrile →
Source data: PubChem CID 66087 ↗
Model information: STL generated by MolGod · MolGod STL Exporter build 48804cd20b0d · generated 2026-10-14
SHA-256 (STL): 548ced2abc9a13b5b5a990db5299d59f1608c7fc6bb195be6f7464c2ca040f17
MD5 (STL): c5fe471819f20e4123246e43935cacf7
MolGod Identification Number: MG_470-842-461-04
Transformation: MolGod Scientific ball-and-stick mesh
Changes: Converted into a triangulated molecular mesh; atomic coordinates and connectivity unchanged.
Wikimedia Commons: STL · PNG

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