Basic information
- CAS
57005-14-8- Standard SMILES
Cc1ccc(NC(N)=S)c(Cl)c1- InChIKey
GNNRBIUCWVOVQD-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2S
- Average molar mass
- 200.69 g/mol
- Monoisotopic mass
- 200.0174972
Names & identifiers
- Preferred name
- N-(2-Chloro-4-methylphenyl)thiourea
- IUPAC
- (2-chloro-4-methylphenyl)thiourea
- English name
- (2-chloro-4-methylphenyl)thiourea
- Molecular formula
- C8H9ClN2S
- Molecular weight
- 200.68846
Names & synonyms
57005-14-8DTXSID80394914N-(2-Chloro-4-methylphenyl)thioureaRefChem:360564DTXCID30345774(2-chloro-4-methylphenyl)thiourea1-(2-Chloro-4-methylphenyl)thiourea(2-chloro-4-methyl-phenyl)thioureaNSC523949SCHEMBL11164506HCA00514AKOS009156268
Show more names
NSC-523949DS-007726EN300-252234
Database identifiers
- CAS
57005-14-8- PubChem CID
- 3674928
- DTXSID
DTXSID80394914
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
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
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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