Basic information
- CAS
40642-85-1- Standard SMILES
COC(=O)CSCCN.Cl- InChIKey
LBYBMKYIAODETE-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO2S
- Average molar mass
- 185.67 g/mol
- Monoisotopic mass
- 185.0277275
Names & identifiers
- Preferred name
- ((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochloride
- IUPAC
- methyl 2-(2-aminoethylsulfanyl)acetate;hydrochloride
- English name
- methyl 2-(2-aminoethylsulfanyl)acetate hydrochloride
- Molecular formula
- C5H12ClNO2S
- Molecular weight
- 185.67228
Names & synonyms
40642-85-1((2-Aminoethyl)thio)acetic acid, methyl ester, hydrochlorideC-511DTXSID60193644RefChem:67087DTXCID00116135methyl 2-[(2-aminoethyl)sulfanyl]acetate hydrochloridemethyl 2-(2-aminoethylsulfanyl)acetate;hydrochlorideMethyl 2-[(2-Aminoethyl)thio]acetate HydrochlorideMETHYL 2-((2-AMINOETHYL)THIO)ACETATE HYDROCHLORIDEMethyl ((2-aminoethyl)thio)acetate hydrochlorideSCHEMBL11190904
Show more names
methyl 2-(2-aminoethylsulfanyl)acetate hydrochloride
LBYBMKYIAODETE-UHFFFAOYSA-NQBA64285MFCD17977054AKOS016905401AT34262SY187690CS-0258526EN300-70412
Database identifiers
- CAS
40642-85-1- PubChem CID
- 170337
- DTXSID
DTXSID60193644
Properties
Computed structural properties
- Topological polar surface area
- 77.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
5 records
Compound notes
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