Basic information
- CAS
5628-96-6- Standard SMILES
CCOC(=O)OCCS- InChIKey
MXPRJNWZZIMYNN-UHFFFAOYSA-N- Molecular formula
- C5H10O3S
- Average molar mass
- 150.2 g/mol
- Monoisotopic mass
- 150.03506535
Names & identifiers
- Preferred name
- Carbonic acid, ethyl 2-mercaptoethyl ester
- IUPAC
- ethyl 2-sulfanylethyl carbonate
- English name
- Ethyl 2-mercaptoethylcarbonate
- Molecular formula
- C5H10O3S
- Molecular weight
- 150.2
Names & synonyms
5628-96-6Carbonic acid, ethyl 2-mercaptoethyl esterEthyl 2-mercaptoethylcarbonateAI3-28288DTXSID8063969RefChem:123603DTXCID9042043MXPRJNWZZIMYNN-UHFFFAOYSA-NEthyl 2-sulfanylethyl carbonateEthyl (2-mercaptoethyl) carbonateethyl 2-mercaptoethyl carbonateSCHEMBL6160549
Show more names
Carbonic acid ethyl=2-mercaptoethyl ester
Ethyl 2-sulfanylethyl carbonate #AKOS006273813carbonic acid ethyl 2-mercapto-ethyl ester
Database identifiers
- CAS
5628-96-6- PubChem CID
- 79728
- DTXSID
DTXSID8063969- Nikkaji
- J421.777B
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 36.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Boiling point
- 74 · 74-80 °C(Press: 7 Torr)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
- pka
- 9.24 · 9.24±0.10(Predicted)
- EPA Substance Registry System
- 2 · Carbonic acid, ethyl 2-mercaptoethyl ester (5628-96-6)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCarbonic acid, ethyl 2-mercaptoethyl ester: INACTIVE
Upstream & downstream products
Downstream products
Suppliers2 total
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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