Basic information
- CAS
2740-93-4- Standard SMILES
CNC(=S)Nc1ccc(C)cc1- InChIKey
IIMGWZIVKIMTGU-UHFFFAOYSA-N- Molecular formula
- C9H12N2S
- Average molar mass
- 180.27 g/mol
- Monoisotopic mass
- 180.07211956
Names & identifiers
- Preferred name
- 1-Methyl-3-(4-methylphenyl)thiourea
- IUPAC
- 1-methyl-3-(4-methylphenyl)thiourea
- English name
- Thiourea,N-methyl-N'-(4-methylphenyl)-
- Molecular formula
- C9H12N2S
- Molecular weight
- 180.27
Names & synonyms
2740-93-41-methyl-3-(4-methylphenyl)thiourea1-methyl-3-(p-tolyl)thiourea3-methyl-1-(4-methylphenyl)thioureaN-methyl-N'-(4-methylphenyl)thioureaMLS000699516SMR000230343(methylamino)[(4-methylphenyl)amino]methane-1-thioneNSC131958starbld0031185TimTec1_001690cid_679503
Show more names
SCHEMBL2590098CHEMBL1431383BDBM452803-methyl-1-(p-tolyl)isothioureaDTXSID80350454HMS1538M18HMS2535E06BBL023901
Database identifiers
- CAS
2740-93-4- PubChem CID
- 679503
- DTXSID
DTXSID80350454- ChEMBL
CHEMBL1431383- Nikkaji
- J2.619.565I
Properties
Computed structural properties
- XLogP
- 1.9
- 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
- 151
Chemistry & industry
Suppliers2 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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