Basic information
- CAS
2740-97-8- Standard SMILES
CNC(=S)Nc1ccc(Cl)cc1- InChIKey
UKOJOHPYEVWPNN-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2S
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.01749697
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-3-methylthiourea
- IUPAC
- 1-(4-chlorophenyl)-3-methylthiourea
- English name
- Thiourea, N-(4-chlorophenyl)-N'-methyl-
- Molecular formula
- C8H9ClN2S
- Molecular weight
- 200.69
Names & synonyms
1-(4-chlorophenyl)-3-methylthiourea2740-97-8DTXSID60351348RefChem:225047DTXCID40302414N-(4-chlorophenyl)-N'-methylthioureaThiourea, N-(4-chlorophenyl)-N'-methyl-[(4-chlorophenyl)amino](methylamino)methane-1-thioneHMS1538L16TimTec1_001666SCHEMBL11277333UKOJOHPYEVWPNN-UHFFFAOYSA-N
Show more names
SBB003535STK135311AKOS000431076NCGC00174186-01ST024163AE-641/30147009SR-01000246671SR-01000246671-1
Database identifiers
- CAS
2740-97-8- PubChem CID
- 698296
- DTXSID
DTXSID60351348- Nikkaji
- J1.392.438D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 155
Physicochemical properties
- Melting point
- 214 °C · 214 °C
- Boiling point
- 279.2 · 279.2±42.0 °C(Predicted)
- Density
- 1.327 · 1.327±0.06 g/cm3(Predicted)
- pka
- 13.11 · 13.11±0.70(Predicted)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
1 records
Compound notes
Loading…