Basic information
- CAS
17612-91-8- Standard SMILES
CC(=O)SCC[NH3+].[Cl-]- InChIKey
AWSDWONPEAAYIB-UHFFFAOYSA-N- Molecular formula
- C4H10ClNOS
- Average molar mass
- 155.65 g/mol
- Monoisotopic mass
- 155.0171628
Overview
See other relationships...
Names & identifiers
- Preferred name
- Thioacetic acid S-2-aminoethyl ester hydrochloride
- IUPAC
- 2-acetylsulfanylethylazanium chloride
- English name
- Thioacetic acid S-(2-amino-ethyl) esterhydrochloride
- Molecular formula
- C4H10ClNOS
- Molecular weight
- 155.65
Names & synonyms
Thioacetic acid S-2-aminoethyl ester hydrochloride2-acetylsulfanylethylazanium;chlorideS-Acetyl-2-mercaptoethylamine hydrochlorideS-(2-Aminoethyl)ethanethioate hydrochlorideEthanethiol, 2-amino-, acetate, hydrochlorideEthanethioic acid, S-(2-aminoethyl)ester, hydrochlorideACETIC ACID, THIO-, S-2-AMINOETHYL ESTER, HYDROCHLORIDEThioacetic acid S-(2-amino-ethyl) esterhydrochlorideTHIOACETIC ACID S-(2-AMINO-ETHYL) ESTER HCLS-(2-Aminoethyl) ethanethioate hydrochloride1-[(2-aminoethyl)sulfanyl]ethan-1-one hydrochloride
Database identifiers
- CAS
17612-91-8- PubChem CID
- 28642
Properties
Computed structural properties
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 64.7
Physicochemical properties
- Melting point
- 146 · 146-147 °C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302-H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Applications
UsesThioacetic Acid S-(2-Aminoethyl) Ester Hydrochloride could be useful reagent in the preparation of psammaplin A analogs, which are potent histone deacetylase inhibitors.
Suppliers14 total
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
苏州维塔力生物医药有限公司512-68242903 13916956214 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
安徽宏瀚研新药业有限公司0551-62626652 19334025048 · [email protected]
Aladdin Scientific[email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…