Basic information
- CAS
133217-59-1- Standard SMILES
CCSC(=O)OCOC(=O)C(C)(C)C- InChIKey
FAFMFYZDXCDNBZ-UHFFFAOYSA-N- Molecular formula
- C9H16O4S
- Average molar mass
- 220.29 g/mol
- Monoisotopic mass
- 220.07693016
Names & identifiers
- Preferred name
- Propanoic acid, 2,2-dimethyl-, [[(ethylthio)carbonyl]oxy]methyl ester
- IUPAC
- ethylsulfanylcarbonyloxymethyl 2,2-dimethylpropanoate
- English name
- Propanoic acid, 2,2-dimethyl-, [[(ethylthio)carbonyl]oxy]methyl ester
- Molecular formula
- C9H16O4S
- Molecular weight
- 220.28594
Names & synonyms
133217-59-1Propanoic acid, 2,2-dimethyl-, [[(ethylthio)carbonyl]oxy]methyl ester(((ethylthio)carbonyl)oxy)methyl pivalateSCHEMBL1507155DTXSID20564194FAFMFYZDXCDNBZ-UHFFFAOYSA-N{[(Ethylsulfanyl)carbonyl]oxy}methyl 2,2-dimethylpropanoate2,2-dimethyl-propionic acid ethylsulfanylcarbonyloxymethyl ester
Database identifiers
- CAS
133217-59-1- PubChem CID
- 14800960
- DTXSID
DTXSID20564194
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 207
Chemistry & industry
Suppliers3 total
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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