Carbanilide, N-methylthio-
Basic information
- CAS
4949-93-3- Standard SMILES
CN(C(=S)Nc1ccccc1)c1ccccc1- InChIKey
WFICXIZBSZGSGV-UHFFFAOYSA-N- Molecular formula
- C14H14N2S
- Average molar mass
- 242.34 g/mol
- Monoisotopic mass
- 242.08776963
Names & identifiers
- Preferred name
- Carbanilide, N-methylthio-
- IUPAC
- 1-methyl-1,3-diphenylthiourea
- English name
- N-Methyl-N,N'-diphenylmercaptoformamidine
- Molecular formula
- C14H14N2S
- Molecular weight
- 242.34
Names & synonyms
Carbanilide, N-methylthio-4949-93-3Thiourea, N-methyl-N,N'-diphenyl-DTXSID90350384RefChem:123479DTXCID50301453WFICXIZBSZGSGV-UHFFFAOYSA-N1-methyl-1,3-diphenylthioureaN-Methyl-N,N'-diphenylthiourea1-methyl-1,3-diphenyl-thioureaNSC97445CBMicro_013566
Show more names
1,3-Diphenyl-1-methylthioureaN-Methyl-N,N'-diphenylmercaptoformamidine
NCIOpen2_006108MLS000699515CHEMBL1560407SCHEMBL10394940SCHEMBL13679367HMS2583C07N-Methyl-N,N'-diphenylthiourea #SMSF0003389
Database identifiers
- CAS
4949-93-3- PubChem CID
- 677665
- DTXSID
DTXSID90350384- ChEMBL
CHEMBL1560407- Nikkaji
- J142.119K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 86 · 86.0-86.5 °C
- Boiling point
- 351.5 · 351.5±25.0 °C(Predicted)
- Density
- 1.234 · 1.234±0.06 g/cm3(Predicted)
- pka
- 13.03 · 13.03±0.70(Predicted)
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Related reactions
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Compound notes
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