Basic information
- CAS
33178-98-2- Standard SMILES
COC(=O)C(C)SC- InChIKey
QMPSBIWJVUCDKV-UHFFFAOYSA-N- Molecular formula
- C5H10O2S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.04015073
Names & identifiers
- Preferred name
- Methyl 2-(methylsulfanyl)propanoate
- IUPAC
- methyl 2-methylsulfanylpropanoate
- English name
- Methyl 2-(methylthio)propionate
- Molecular formula
- C5H10O2S
- Molecular weight
- 134.2
Names & synonyms
61366-76-5Methyl 2-(methylsulfanyl)propanoateRefChem:813745696-657-1methyl 2-(methylthio)propionate33178-98-2methyl 2-methylsulfanylpropanoateMethyl 2-methylthiopropionatemethyl 2-(methylthio)propanoateMFCD02683079methyl 2-(methyl thio) propionateMETHYL2-(METHYLTHIO)PROPIONATE
Show more names
2-(METHYLTHIO)PROPIONIC ACID METHYL ESTERPropanoic acid, 2-(methylthio)-, methyl ester, (R)- (9CI)
METHYL 2-(METHYLMERCAPTO)PROPIONATEdimethyl sulphoniopropionatePropanoic acid, 2-(methylthio)-, methyl esterSCHEMBL1171502SCHEMBL27672502DTXSID40338319QMPSBIWJVUCDKV-UHFFFAOYSA-NAKOS009158238
Database identifiers
- CAS
33178-98-2、61366-76-5- PubChem CID
- 548372
- DTXSID
DTXSID40338319- EC Number
- 696-657-1
- Nikkaji
- J45.096K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Boiling point
- 157.6 · 157.6±23.0 °C(Predicted)
- Density
- 1.041 · 1.041±0.06 g/cm3(Predicted)
- refractive index
- 1.462 · 1.4620
- LogP
- 1.17 · 1.170 (est)
- Safety Statements
- 23 · 23-24/25
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (50%)
Safety data
- safety_code
- 23-24/25
Chemistry & industry
Suppliers6 total
Syntechem Co.,Ltd[email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
广州市金华大化学试剂有限公司020-84383047 · [email protected]
上海瀚香生物科技有限公司17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…