1-Chloro-3-(methylthio)benzene
Properties
- Molecular formula
- C7H7ClS
- Molar mass
- 158.64 g/mol
- Exact mass
- 157.9957 Da
- Boiling point
- 112 °C (at 16 Torr)
- logP
- 3.06Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation91.1% of notifiers
- H319 Causes serious eye irritation91.1% of notifiers
- H335 May cause respiratory irritation88.9% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
4867-37-2SMILES
CSc1cccc(Cl)c1InChIKey
PTGSDZVASWKUHK-UHFFFAOYSA-NInChI
InChI=1S/C7H7ClS/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
14 names · show all
- Benzene, 1-chloro-3-(methylthio)-
- Sulfide, m-chlorophenyl methyl
- m-Chlorophenyl methyl sulfide
- m-Chlorothioanisole
- Methyl m-chlorophenyl sulfide
- 3-Chlorophenyl methyl sulfide
- Methyl 3-chlorophenyl sulfide
- NSC 133796
- 3-(Methylthio)-1-chlorobenzene
- 3-Chlorothioanisole
- 1-Chloro-3-methylthiobenzene
- 3-Methylthiophenyl chloride
- 1-Chloro-3-(methylsulfanyl)benzene
- 1-Chloro-3-methylsulfanylbenzene
Work with 1-Chloro-3-(methylthio)benzene
Similar compounds
3,3'-Dichloro diphenyl disulfide19742-92-863 % similar
3,5-Dichlorothioanisole68121-46-063 % similar
1-Fluoro-3-(methylthio)benzene658-28-656 % similar
3-Iodothioanisole130416-73-854 % similar
3-(Methylthio)benzenamine1783-81-954 % similar
3-Bromothioanisole33733-73-254 % similar
Thioanisole100-68-550 % similar
3-Methoxythioanisole2388-74-150 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds