Basic information
- CAS
55704-21-7- Standard SMILES
S=C(Nc1ccccc1)Nc1ccccc1S- InChIKey
VBSNXUWQQVRWSR-UHFFFAOYSA-N- Molecular formula
- C13H12N2S2
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.04419074
Names & identifiers
- Preferred name
- N-(2-Mercaptophenyl)-N'-phenylthiourea
- IUPAC
- 1-phenyl-3-(2-sulfanylphenyl)thiourea
Names & synonyms
N-(2-Mercaptophenyl)-N'-phenylthiourea55704-21-79P3E6ORU71UNII-9P3E6ORU71NSC 164979NSC-164979DTXSID20204240Thiourea, N-(2-mercaptophenyl)-N'-phenyl-RefChem:161785DTXCID201267311-phenyl-3-(2-sulfanylphenyl)thioureaNSC164979
Show more names
1-(2-Mercaptophenyl)-3-phenylthioureaVortioxetine Impurity 13SCHEMBL7552448AKOS005199407N-Phenyl-N'-(2-sulfanylphenyl)thioureaST51041340(phenylamino)[(2-sulfanylphenyl)amino]methane-1-thione
Database identifiers
- CAS
55704-21-7- PubChem CID
- 2795366
- DTXSID
DTXSID20204240- UNII
- 9P3E6ORU71
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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