1-Chloro-4-(methylthio)benzene
Properties
- Molecular formula
- C7H7ClS
- Molar mass
- 158.64 g/mol
- Exact mass
- 157.9957 Da
- Melting point
- 18–19 °C
- Boiling point
- 170 °C
- logP
- 3.06Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
123-09-1SMILES
CSc1ccc(Cl)cc1InChIKey
KIQQUVJOLVCZKG-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClS/c1-9-7-4-2-6(8)3-5-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- Benzene, 1-chloro-4-(methylthio)-
- Sulfide, p-chlorophenyl methyl
- p-Chlorothioanisole
- Methyl 4-chlorophenyl sulfide
- 4-Chlorothioanisole
- Methyl p-chlorophenyl sulfide
- p-Chlorophenyl methyl sulfide
- 4-Chlorophenyl methyl sulfide
- p-(Methylthio)chlorobenzene
- NSC 72090
- 1-Chloro-4-(methylsulfanyl)benzene
- 1-Chloro-4-methylsulfanylbenzene
- (4-Chlorophenyl)(methyl)sulfane
Work with 1-Chloro-4-(methylthio)benzene
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
Bis(p-chlorophenyl)disulfide1142-19-457 % similar
3,5-Dichlorothioanisole68121-46-057 % similar
Methyl p-tolyl sulfide623-13-252 % similar
Thioanisole100-68-550 % similar
4-Bromothioanisole104-95-050 % similar
4-(Methylthio)aniline104-96-150 % similar
1,4-Dichlorobenzene106-46-750 % similar
4-(Methylthio)phenol1073-72-950 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds