Basic information
- CAS
20600-65-1- Standard SMILES
CCCSCC(=O)OC- InChIKey
BXXWZNRMCVNWTO-UHFFFAOYSA-N- Molecular formula
- C6H12O2S
- Average molar mass
- 148.23 g/mol
- Monoisotopic mass
- 148.05580079
Names & identifiers
- Preferred name
- Methyl 2-(propylthio)acetate
- IUPAC
- methyl 2-propylsulfanylacetate
- English name
- Acetic acid, (propylthio)-, methyl ester
- Molecular formula
- C6H12O2S
- Molecular weight
- 148.22
Names & synonyms
Methyl 2-(propylthio)acetate20600-65-1Methyl 2-(Propylsulfanyl)acetatemethyl 2-propylsulfanylacetateAcetic acid, (propylthio)-, methyl esterMFCD11174022Methyl (propylsulfanyl)acetateMethyl (propylthio)acetateSCHEMBL774678Methyl2-(Propylsulfanyl)acetateSCHEMBL27233262Methyl (propylsulfanyl)acetate #
Show more names
Acetic acid, 2-(propylthio)-, methyl ester
DTXSID601309728AKOS008911228propylsulfanyl-acetic acid methyl esterFS-5852CS-0449548F095137
Database identifiers
- CAS
20600-65-1- PubChem CID
- 554116
- DTXSID
DTXSID601309728- Nikkaji
- J103.291G
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 83.1
Physicochemical properties
- Boiling point
- 182.9 · 182.9±23.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers7 total
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Shanghai Daken Advanced Materials Co.,Ltd+86-2158073036 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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