Basic information
- CAS
13207-50-6- Standard SMILES
CNC(=S)NNc1ccccc1- InChIKey
TVQONGCRGGWBOT-UHFFFAOYSA-N- Molecular formula
- C8H11N3S
- Average molar mass
- 181.26 g/mol
- Monoisotopic mass
- 181.06736854
Overview
See also: 4-Methyl-1-phenyl-3-thiosemicarbazide (annotation moved to).
Names & identifiers
- Preferred name
- N-Methyl-2-phenylhydrazinecarbothioamide
- IUPAC
- 1-anilino-3-methylthiourea
- English name
- 4-Methyl-1-phenyl-3-thiosemicarbazide
- Molecular formula
- C8H11N3S
- Molecular weight
- 181.26
Names & synonyms
N-methyl-2-phenylhydrazinecarbothioamideRefChem:83040113207-50-61-anilino-3-methylthioureaNSC 158619NSC 174135ST50547281NSC158619phenyl-4-methylthiosemicarbazideSCHEMBL10348335DTXSID604029204-methyl-1-phenylthiosemicarbazide
Show more names
4-Methyl-1-phenyl-3-thiosemicarbazide
NSC174135AKOS024333420NSC-158619NSC-174135Hydrazinecarbothioamide, N-methyl-2-phenyl-N-Methyl-2-phenylhydrazine-1-carbothioamide(methylamino)(2-phenylhydrazino)methane-1-thione
Database identifiers
- CAS
13207-50-6- PubChem CID
- 4405145
- DTXSID
DTXSID60402920- Nikkaji
- J1.579.624C
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Experimental & physicochemical properties
LogP1.17
Physicochemical properties
- Melting point
- 172 · 172-174 °C(Solv: ligroine (8032-32-4))
- Boiling point
- 268.8 · 268.8±23.0 °C(Predicted)
- Density
- 1.224 · 1.224±0.06 g/cm3(Predicted)
- pka
- 9.4 · 9.40±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers1 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Related reactions
4 records
Compound notes
Loading…