Basic information
- CAS
29549-60-8- Standard SMILES
CCSc1ccccc1O- InChIKey
CSJBSYKCAKKLKG-UHFFFAOYSA-N- Molecular formula
- C8H10OS
- Average molar mass
- 154.23 g/mol
- Monoisotopic mass
- 154.04523611
Names & identifiers
- Preferred name
- 2-(Ethylthio)phenol
- IUPAC
- 2-ethylsulfanylphenol
- English name
- 2-(Ethylthio)phenol
- Molecular formula
- C8H10OS
- Molecular weight
- 154.23
Names & synonyms
2-(Ethylthio)phenol29549-60-8Phenol, 2-(ethylthio)-2-ethylsulfanylphenolPhenol, o-(ethylthio)-9JP4N96F24EINECS 249-690-7DTXSID5067479RefChem:84720DTXCID3038016249-690-7CSJBSYKCAKKLKG-UHFFFAOYSA-N
Show more names
InChI=1/C8H10OS/c1-2-10-8-6-4-3-5-7(8)9/h3-6,9H,2H2,1H2-(Ethylsulfanyl)phenolortho-(ethylthio)phenol2-(Ethylsulfanyl)phenol #SCHEMBL194786UNII-9JP4N96F24SCHEMBL1128730SCHEMBL5609829
Database identifiers
- CAS
29549-60-8- PubChem CID
- 122407
- DTXSID
DTXSID5067479- UNII
- 9JP4N96F24
- EC Number
- 249-690-7
- Nikkaji
- J100.174D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 95
Physicochemical properties
- Boiling point
- 247.62 °C · 247.62°C (rough estimate)
- Density
- 1.1125 · 1.1125 (rough estimate)
- refractive index
- 1.53 · 1.5300 (estimate)
- LogP
- 2.511 · 2.511 (est)
- FDA UNII
- 9 JP4N96F24 · 9JP4N96F24
- EPA Substance Registry System
- 2 · Phenol, 2-(ethylthio)- (29549-60-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
- HS Code
- 2930909899 · 2930909899
Safety & regulation
Hazard information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Regulatory information
Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Safety data
- tsca
- TSCA listed
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 2-(ethylthio)-: INACTIVE
Suppliers7 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
湖北杰明凯林科技有限公司13817642633 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
10 records
Compound notes
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