Molecular properties
- Formula
- CH4N2S
- Molar mass
- 76.12 g·mol−1
- Exact mass
- 76.0095 Da
- 1
- 2
- 1
- 84.10 Ų
- -0.8 (PubChem computed XLogP3-AA descriptor)
- CAS
- 62-56-6
- PubChem CID
- 2723790
Molecule record
THIOUREA
CH4N2S
76.12 g/mol
Interactions
- Polarity
- Often polar; exact polarity depends on size, substitution, and ionization state.
- Acid-base behavior
- Review ionizable groups and pKa data where available; ChemForge does not infer definitive acid-base state from identity alone.
- Intermolecular forces
- Assess dispersion, dipole interactions, hydrogen bonding, and ionic character from the functional groups shown.
Functional groups
Amine
Physical properties
| Property | Value | Conditions | Source |
|---|---|---|---|
| Logp | -0.8 | PubChem computed XLogP3-AA descriptor | PubChem(link only) |
Common names and synonyms
- 2-Thiopseudourea
- 2-Thiourea
- 62-56-6
- Isothiourea
- Pseudothiourea
- Pseudourea, 2-thio-
- RCRA waste number U219
- Sulfourea
Show all 22 synonyms
- Sulourea
- Thiocarbamid
- Thiocarbamide
- Thiocarbonic acid diamide
- Thioharnstoff
- Thiokarbamid
- Thiomocovina
- Thiuronium
- Tsizp 34
- USAF EK-497
- Urea, 2-thio-
- Urea, thio-
- beta-Thiopseudourea
- carbonothioic diamide
Structure identifiers
- Canonical SMILES
- C(=S)(N)N
- Isomeric SMILES
- C(=S)(N)N
- InChI
- InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4)
- InChIKey
- UMGDCJDMYOKAJW-UHFFFAOYSA-N
- PubChem CID
- 2723790
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for THIOUREA; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for THIOUREA; not experimental data.
Sources
Molecule identity
Retrieved 8/7/2026. Reuse status is summarized by the badge; open the source for full details.