Acetic acid, 2-(2-chloroethyl)thio-, methyl ester
Basic information
- CAS
73623-44-6- Standard SMILES
COC(=O)CSCCCl- InChIKey
KAOZQKMKOZFDSQ-UHFFFAOYSA-N- Molecular formula
- C5H9ClO2S
- Average molar mass
- 168.64 g/mol
- Monoisotopic mass
- 168.0011784
Names & identifiers
- Preferred name
- Acetic acid, 2-(2-chloroethyl)thio-, methyl ester
- IUPAC
- methyl 2-(2-chloroethylsulfanyl)acetate
- English name
- (2-Chloroethylthio)acetic acid methyl ester
- Molecular formula
- C5H9ClO2S
- Molecular weight
- 168.64
Names & synonyms
Methyl 2-chloroethylthioacetatemethyl 2-(2-chloroethylsulfanyl)acetateAT763VL4EHACETIC ACID, 2-(2-CHLOROETHYL)THIO-, METHYL ESTERNSC 202629NSC-202629DTXSID50223843RefChem:199343DTXCID801463342-(2-Chloroethylthio)acetic acid methyl ester73623-44-6Acetic acid, ((2-chloroethyl)thio)-, methyl ester
Show more names
(2-Chloroethylthio)acetic acid methyl esterAcetic acid, 2-[(2-chloroethyl)thio]-, methyl ester
UNII-AT763VL4EHWLN: G2S1VO1KAOZQKMKOZFDSQ-UHFFFAOYSA-Nmethyl[(2-chloroethyl)thio]acetatemethyl [(2-chloroethyl)thio]acetateNSC202629AKOS006384106methyl [(2-chloroethyl)sulfanyl]acetate
Database identifiers
- CAS
73623-44-6- PubChem CID
- 51933
- DTXSID
DTXSID50223843- UNII
- AT763VL4EH
- Nikkaji
- J79.196B
Properties
Computed structural properties
- XLogP
- 1.4
- 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
- 87
Physicochemical properties
- Boiling point
- 224.3 · 224.3±20.0 °C(Predicted)
- Density
- 1.205 · 1.205±0.06 g/cm3(Predicted)
- FDA UNII
- 763 VL4EH · AT763VL4EH
Related reactions
4 records
Compound notes
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