Basic information
- Standard SMILES
CCNC(=O)N=C(NC(=O)NCC)SC- InChIKey
AQHIFTQCTDCFMD-UHFFFAOYSA-N- Molecular formula
- C8H16N4O2S
- Average molar mass
- 232.31 g/mol
Names & identifiers
- Preferred name
- 1-ethyl-3-(N-(ethylcarbamoyl)-C-methylsulfanyl-carbonimidoyl)urea
- IUPAC
- methyl N,N'-bis(ethylcarbamoyl)carbamimidothioate
Names & synonyms
797047-27-9SCHEMBL9000216SCHEMBL10319334AQHIFTQCTDCFMD-UHFFFAOYSA-NMethyl N,N inverted exclamation marka-bis[(ethylamino)carbonyl]carbamimidothioateH570721-ethyl-3-(N-(ethylcarbamoyl)-C-methylsulfanyl-carbonimidoyl)ureaCarbamimidothioic acid, N,N'-bis[(ethylamino)carbonyl]-, methyl ester
Database identifiers
- PubChem CID
- 73408149
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 255
Related reactions
15 records
Compound notes
Loading…