Basic information
- CAS
10553-78-3- Standard SMILES
CC(=O)SCC(=O)Cl- InChIKey
CDVXHLKKIJCRHD-UHFFFAOYSA-N- Molecular formula
- C4H5ClO2S
- Average molar mass
- 152.6 g/mol
- Monoisotopic mass
- 151.96987808
Names & identifiers
- Preferred name
- Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester
- IUPAC
- S-(2-chloro-2-oxoethyl) ethanethioate
- English name
- S-(2-chloro-2-oxoethyl) ethanethioate
- Molecular formula
- C4H5ClO2S
- Molecular weight
- 152.6
Names & synonyms
S-(2-Chloro-2-oxoethyl) ethanethioateEthanethioic acid, S-(2-chloro-2-oxoethyl) esterEINECS 234-141-6DTXSID7065124RefChem:138186DTXCID3032965234-141-610553-78-3acetylmercaptoacetyl chloride5S7YAX66L6SCHEMBL70885382-acetylmercaptoacetic acid chloride
Show more names
Thioacetic acid S-(2-chloro-2-oxoethyl) ester
NS00023383
Database identifiers
- CAS
10553-78-3- PubChem CID
- 82724
- DTXSID
DTXSID7065124- UNII
- 5S7YAX66L6
- EC Number
- 234-141-6
- Nikkaji
- J226.986D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 113
Physicochemical properties
- Boiling point
- 98 · 98-101 °C(Press: 16-18 Torr)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- Ethanethioic acid, S-(2-chloro-2-oxoethyl) ester (10553-78-3)
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanethioic acid, S-(2-chloro-2-oxoethyl) ester: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
1 records
Compound notes
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