Basic information
- CAS
6263-62-3- Standard SMILES
CCSCc1ccccc1- InChIKey
NTAIOEZEVLVLLW-UHFFFAOYSA-N- Molecular formula
- C9H12S
- Average molar mass
- 152.26 g/mol
- Monoisotopic mass
- 152.06597156
Names & identifiers
- Preferred name
- ((Ethylthio)methyl)benzene
- IUPAC
- ethylsulfanylmethylbenzene
- English name
- Benzyl ethyl sulphide
- Molecular formula
- C9H12S
- Molecular weight
- 152.26
Names & synonyms
6263-62-3alpha-(Ethylthio)tolueneDTXSID40211673RefChem:1048881((Ethylthio)methyl)benzeneDTXCID70134164228-422-2Benzyl ethyl sulfideBenzyl ethyl sulphideethylsulfanylmethylbenzeneEthyl benzyl sulfideSulfide, benzyl ethyl
Show more names
benzylethylsulfideethylbenzylsulfidesulfide,benzylethylα-(ethylthio)toluene
[(Ethylsulfanyl)methyl]benzeneBenzene, [(ethylthio)methyl]-1-Phenyl-2-thiabutane.alpha.-(Ethylthio)tolueneethylthiophenylmethaneEINECS 228-422-2PhCH2SC2H5SCHEMBL291657
Database identifiers
- CAS
6263-62-3- PubChem CID
- 80431
- DTXSID
DTXSID40211673- EC Number
- 228-422-2
- Nikkaji
- J43.488D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 74.8
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Boiling point
- 234.76 °C · 234.76°C (estimate)
- Density
- 1.012 · 1.0120 (estimate)
- refractive index
- 1.5493 · 1.5493 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers3 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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