Basic information
- CAS
6965-59-9- Standard SMILES
NC(=S)NC(=O)c1ccccc1Cl- InChIKey
UROWSAGPOYOHJT-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2OS
- Average molar mass
- 214.67 g/mol
- Monoisotopic mass
- 213.9967617
Overview
structure in first source
Names & identifiers
- Preferred name
- 1-(2-Chlorobenzoyl)thiourea
- IUPAC
- N-carbamothioyl-2-chlorobenzamide
Names & synonyms
1-(2-chlorobenzoyl)thioureaRefChem:907210N-carbamothioyl-2-chlorobenzamide6965-59-9NSC69210NCIOpen2_003214SCHEMBL27675571DTXSID70397898NSC-69210
Database identifiers
- CAS
6965-59-9- PubChem CID
- 3909253
- DTXSID
DTXSID70397898
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 87.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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