N-(1,1'-Biphenyl)-2-ylthiourea
Basic information
- CAS
19250-02-3- Standard SMILES
NC(=S)Nc1ccccc1-c1ccccc1- InChIKey
PFLVOXHSAWFMOW-UHFFFAOYSA-N- Molecular formula
- C13H12N2S
- Average molar mass
- 228.31 g/mol
- Monoisotopic mass
- 228.07211938
Names & identifiers
- Preferred name
- N-(1,1'-Biphenyl)-2-ylthiourea
- IUPAC
- (2-phenylphenyl)thiourea
- English name
- 3-12-00-03131 (Beilstein Handbook Reference)
- Molecular formula
- C13H12N2S
- Molecular weight
- 228.31
Names & synonyms
Urea, 1-(2-biphenylyl)-2-thio-AI3-15089o-Biphenyl thioureaNSC 5807NSC-5807Thiourea, (1,1'-biphenyl)-2-yl-BRN 272487334ZN5TA7W4N-(1,1'-Biphenyl)-2-ylthiourea3-12-00-03131 (Beilstein Handbook Reference)UNII-34ZN5TA7W4DTXSID70172844
Show more names
NSC5807N-[1,1'-biphenyl]-2-ylthiourea1-([1,1'-Biphenyl]-2-yl)thioureaThiourea, N-[1,1'-biphenyl]-2-yl-
THIOUREA, N-(1,1'-BIPHENYL)-2-YL-RefChem:201946DTXCID509533519250-02-3(2-phenylphenyl)thioureaBiphenyl-2-yl-thiourea{N}-biphenyl-2-ylthiourea{[1,1'-biphenyl]-2-yl}thiourea
Database identifiers
- CAS
19250-02-3- PubChem CID
- 1471602
- DTXSID
DTXSID70172844- UNII
- 34ZN5TA7W4
- Nikkaji
- J49.083K
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Melting point
- 198 °C · 198 °C
- Boiling point
- 393.4 · 393.4±35.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
- pka
- 12.92 · 12.92±0.70(Predicted)
- FDA UNII
- 34 ZN5TA7W4 · 34ZN5TA7W4
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Related reactions
6 records
Compound notes
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