S-[2-(2-bromoanilino)-2-oxoethyl] carbamothioate
Basic information
- CAS
313069-93-1- Standard SMILES
NC(=O)SCC(=O)Nc1ccccc1Br- InChIKey
KCISSGJKBOSABS-UHFFFAOYSA-N- Molecular formula
- C9H9BrN2O2S
- Average molar mass
- 289.15 g/mol
- Monoisotopic mass
- 287.95681
Names & identifiers
- Preferred name
- S-[2-(2-bromoanilino)-2-oxoethyl] carbamothioate
- IUPAC
- S-[2-(2-bromoanilino)-2-oxoethyl] carbamothioate
Names & synonyms
S-[2-[(2-Bromophenyl)amino]-2-oxoethyl] carbamothioate313069-93-1CBMicro_013863S-[2-(2-bromoanilino)-2-oxoethyl] carbamothioateSCHEMBL12127461DTXSID201209908SMSF0010496CB08036BIM-0013955.P001
Database identifiers
- CAS
313069-93-1- PubChem CID
- 873463
- DTXSID
DTXSID201209908
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 250
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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