Basic information
- CAS
63679-61-8- Standard SMILES
CC(=O)SC(=N)N.Cl- InChIKey
AZFOLRQLXUCGJZ-UHFFFAOYSA-N- Molecular formula
- C3H7ClN2OS
- Average molar mass
- 154.62 g/mol
- Monoisotopic mass
- 153.9967617
Names & identifiers
- Preferred name
- Acetyl carbamimidothioate--hydrogen chloride (1/1)
- IUPAC
- S-carbamimidoyl ethanethioate;hydrochloride
Names & synonyms
63679-61-8DTXSID00979904Acetyl carbamimidothioate--hydrogen chloride (1/1)RefChem:1076002DTXCID801407184Acetyl isothiouronium chlorideUSAF B-101Pseudourea, 2-acetyl-2-thio-, hydrochlorideSCHEMBL10393319
Database identifiers
- CAS
63679-61-8- PubChem CID
- 113409
- DTXSID
DTXSID00979904
Properties
Computed structural properties
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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