Basic information
- CAS
2697-50-9- Standard SMILES
CCCS(=O)(=O)OC- InChIKey
GBSRRQISIWGCNC-UHFFFAOYSA-N- Molecular formula
- C4H10O3S
- Average molar mass
- 138.19 g/mol
- Monoisotopic mass
- 138.03506535
Names & identifiers
- Preferred name
- 1-Propanesulfonic acid, methyl ester
- IUPAC
- methyl propane-1-sulfonate
- English name
- 1-methoxysulfonylpropane
- Molecular formula
- C4H10O3S
- Molecular weight
- 138.19
Names & synonyms
1-PROPANESULFONIC ACID, METHYL ESTERMethyl 1-propanesulfonateBRN 1903617DTXSID40181468RefChem:234597DTXCID50103959GBSRRQISIWGCNC-UHFFFAOYSA-Nmethyl propane-1-sulfonate2697-50-91-Propanesulfonic acid,methyl estermethylpropanesulfonateSCHEMBL415726
Show more names
Nintedanib Impurity 1221-methoxysulfonylpropane1-Propanesulfonic acid methyl esterPropane-1-sulfonic acid methyl ester
SCHEMBL4814722SCHEMBL11046979
Database identifiers
- CAS
2697-50-9- PubChem CID
- 17602
- DTXSID
DTXSID40181468- Nikkaji
- J110.490J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 110 °C · 110 °C(Press: 20 Torr)
- Density
- 1.133 · 1.133±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers12 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
南京唯博特医药科技有限公司18066048793 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
湖北巨胜科技有限公司027-59599241 18871490274 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Changzhou PBpharmaceutical R&D Co.,Ltd0519-83990708 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Coresyn Pharmatech Co., Ltd.+86-571-86626709 +86-18157142896 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…