Propyl carbamimidothioate
Basic information
- CAS
2986-21-2- Standard SMILES
CCCSC(=N)N- InChIKey
JKHAGQZCIAFTOX-UHFFFAOYSA-N- Molecular formula
- C4H10N2S
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.0564695
Names & identifiers
- Preferred name
- Propyl carbamimidothioate
- IUPAC
- propyl carbamimidothioate
Names & synonyms
CHEMBL483092propyl carbamimidothioate2986-21-22-Propyl-isothioureaSCHEMBL6591540SCHEMBL6591542SCHEMBL7566193DTXSID401312139BDBM50271829AKOS013362488
Database identifiers
- CAS
2986-21-2- PubChem CID
- 120987
- DTXSID
DTXSID401312139- ChEMBL
CHEMBL483092- Nikkaji
- J477.833B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 62.7
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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