Basic information
- CAS
3019-20-3- Standard SMILES
CC(C)Sc1ccccc1- InChIKey
SNOAHAUUBQMVGW-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597156
Names & identifiers
- Preferred name
- ((1-Methylethyl)thio)benzene
- IUPAC
- propan-2-ylsulfanylbenzene
- English name
- ISOPROPYLTHIOBENZENE
- Molecular formula
- C9H12S
- Molecular weight
- 152.26
Names & synonyms
(Isopropylthio)benzene3019-20-3DTXSID90184262RefChem:1048805((1-Methylethyl)thio)benzeneDTXCID00106753221-162-0IsopropylthiobenzeneIsopropyl phenyl sulfidePropan-2-ylsulfanylbenzene(propan-2-ylsulfanyl)benzeneSulfide, isopropyl phenyl
Show more names
sulfide,isopropylphenylbenzene,(isoproylthio)-(Isopropylthio)benzene 97%
Benzene, [(1-methylethyl)thio]-Isopropyl phenyl sulphide(Isopropylsulfanyl)benzeneisopropyl(phenyl)sulfanePhenyl isopropyl sulfideEINECS 221-162-0MFCD00039842isopropylsulfanylbenzene
Database identifiers
- CAS
3019-20-3- PubChem CID
- 76397
- DTXSID
DTXSID90184262- EC Number
- 221-162-0
- Nikkaji
- J143.953G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -45 °C · -45°C (estimate)
- Boiling point
- 105 °C · 105°C 40mm
- Density
- 0 · 0,985 g/cm3
- refractive index
- 1.5465 · 1.5465
- Flash point
- 105 °C/40mm · 105°C/40mm
- form
- liquid
- color
- Clear, almost colourless to faint yellow
- Sensitive
- Stench
- BRN
- 1906756 · 1906756
- CAS DataBase Reference
- 3019 · 3019-20-3
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
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
- hs_code
- 2930909899
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_note
- Harmful/Stench
- safety_code
- 26-36/37/39
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers15 total
山东利腾生物科技有限公司+86-18663721413 +86-15552573001 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
湖北拓邦化工有限公司027-59106185 13986192185 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
广州安纳医药科技有限公司020-86211473 13925088720 · [email protected]
Related reactions
2 records
Compound notes
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