Basic information
- CAS
100885-68-5- Standard SMILES
CNC(=S)Nc1ccc(N=Nc2ccccc2)cc1- InChIKey
NXSAIVQOQXPCJY-UHFFFAOYSA-N- Molecular formula
- C14H14N4S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.09391764
Names & identifiers
- Preferred name
- 1-Methyl-3-(4-phenylazophenyl)thiourea
- IUPAC
- 1-methyl-3-(4-phenyldiazenylphenyl)thiourea
Names & synonyms
1-methyl-3-(4-phenylazophenyl)thioureaDTXSID301039649AKOS003713895100885-68-51-(p-Phenylazophenyl)-3-methyl-2-thioureaThiourea, N-methyl-N'-[4-(2-phenyldiazenyl)phenyl]-
Database identifiers
- CAS
100885-68-5- PubChem CID
- 3002012
- DTXSID
DTXSID301039649
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 305
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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