4-[(4-Carbamothioylphenyl)iminomethyl]benzenecarbothioamide
Basic information
- CAS
64511-01-9- Standard SMILES
NC(=S)c1ccc(C=Nc2ccc(C(N)=S)cc2)cc1- InChIKey
SFZYMBIHSITLLP-UHFFFAOYSA-N- Molecular formula
- C15H13N3S2
- Average molar mass
- 299.4 g/mol
- Monoisotopic mass
- 299.05508977
Names & identifiers
- Preferred name
- 4-[(4-Carbamothioylphenyl)iminomethyl]benzenecarbothioamide
- IUPAC
- 4-[(4-carbamothioylphenyl)iminomethyl]benzenecarbothioamide
Names & synonyms
64511-01-94-[(4-carbamothioylphenyl)iminomethyl]benzenecarbothioamideNSC259258DTXSID50391197NSC-2592584-{(E)-[(4-Carbamothioylphenyl)imino]methyl}benzene-1-carbothioamide
Database identifiers
- CAS
64511-01-9- PubChem CID
- 3298767
- DTXSID
DTXSID50391197
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…