Basic information
- CAS
1865-13-0- Standard SMILES
COC(=O)C=CS(=O)(=O)c1ccccc1- InChIKey
XWOASDHTCGBACV-UHFFFAOYSA-N- Molecular formula
- C10H10O4S
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.02997997
Names & identifiers
- Preferred name
- Methyl 3-phenylsulfonyl-2-propenoate
- IUPAC
- methyl 3-(benzenesulfonyl)prop-2-enoate
- English name
- methyl (2E)-3-(phenylsulfonyl)prop-2-enoate
- Molecular formula
- C10H10O4S
- Molecular weight
- 226.25
Names & synonyms
methyl 3-(benzenesulfonyl)prop-2-enoate1865-13-0METHYL 3-PHENYLSULFONYL-2-PROPENOATESCHEMBL28980625DTXSID30342283AKOS017547739methyl (2E)-3-(phenylsulfonyl)prop-2-enoateMETHYL (2E)-3-(PHENYLSULFONYL)-2-PROPENOATE2-Propenoic acid, 3-(phenylsulfonyl)-, methyl ester, (2E)-
Database identifiers
- CAS
1865-13-0- PubChem CID
- 580481
- DTXSID
DTXSID30342283
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 331
Physicochemical properties
- Melting point
- 99 · 99-100 °C
- Boiling point
- 387.8 · 387.8±34.0 °C(Predicted)
- Density
- 1.272 · 1.272±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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