Basic information
- Standard SMILES
C=CC(=O)OCCSC- InChIKey
KAGWLGUCGNNPFW-UHFFFAOYSA-N- Molecular formula
- C6H10O2S
- Average molar mass
- 146.21 g/mol
- Monoisotopic mass
- 146.04015056
Names & identifiers
- Preferred name
- 2-(Methylthio)ethyl acrylate
- IUPAC
- 2-methylsulfanylethyl prop-2-enoate
- English name
- 2-(methylthio)ethyl acrylate
- Molecular formula
- C6H10O2S
- Molecular weight
- 146.21
Names & synonyms
2-(Methylthio)ethyl acrylate2-Methylthioethyl acrylate2-Propenoic acid, 2-(methylthio)ethyl esterG53AIO8V29Acrylic acid methylthioethyl esterEINECS 225-420-3Ethanol, 2-(methylthio)-, acrylateBRN 2039465UNII-G53AIO8V29DTXSID50197494ACRYLIC ACID, 2-(METHYLTHIO)ETHYL ESTERRefChem:84791
Show more names
Acrylic acid 2-(methylthio)ethyl ester
DTXCID601199852-Propenoic acid, 2-(methylthio)ethyl ester (9CI)225-420-34836-09-32-methylsulfanylethyl prop-2-enoate2-(methylsulfanyl)ethyl prop-2-enoatemethylthioethyl acrylateSCHEMBL2828789
Database identifiers
- CAS
4836-09-3- PubChem CID
- 20973
- DTXSID
DTXSID50197494- UNII
- G53AIO8V29
- EC Number
- 225-420-3
- Nikkaji
- J33.775G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 101
Physicochemical properties
- Boiling point
- 128 °C · 128°C (estimate)
- Density
- 1.088 · 1.088 (estimate)
- refractive index
- 1.4732 · 1.4732 (estimate)
- FDA UNII
- 53 AIO8V29 · G53AIO8V29
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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