Basic information
- CAS
43032-67-3- Standard SMILES
COc1cccc(S(C)(=O)=O)c1- InChIKey
YMYKXUBZPNRRQD-UHFFFAOYSA-N- Molecular formula
- C8H10O3S
- Average molar mass
- 186.23 g/mol
- Monoisotopic mass
- 186.03506535
Names & identifiers
- Preferred name
- 1-Methoxy-3-(methylsulfonyl)benzene
- IUPAC
- 1-methoxy-3-methylsulfonylbenzene
- English name
- 1-Methanesulfonyl-3-Methoxybenzene
- Molecular formula
- C8H10O3S
- Molecular weight
- 186.23
Names & synonyms
43032-67-31-methoxy-3-(methylsulfonyl)benzeneDTXSID40293474RefChem:231282DTXCID502446143-Methoxyphenylmethylsulfone1-methoxy-3-methylsulfonyl-benzeneMFCD009720171-methoxy-3-methylsulfonylbenzene1-METHANESULFONYL-3-METHOXYBENZENENSC89792SCHEMBL358028
Show more names
Benzene, 1-methoxy-3-(methylsulfonyl)-3,3'-(Sulfonylbis(methylene))bis(methoxybenzene)
SCHEMBL803706SCHEMBL2377950SCHEMBL2537921SCHEMBL3930133SCHEMBL29650302YMYKXUBZPNRRQD-UHFFFAOYSA-N1-methanesulfonyl-3-methoxy benzeneNSC-89792
Database identifiers
- CAS
43032-67-3- PubChem CID
- 259650
- DTXSID
DTXSID40293474- Nikkaji
- J1.330.268E
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Melting point
- 46.1 · 46.1-47.3 °C
- Boiling point
- 352 · 352.0±34.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers5 total
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
烟台盛凯伦生物制品有限公司13356901049 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
6 records
Compound notes
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