Methyl (2S)-2-(2-chlorophenyl)-2-((2-(thiophen-2-YL)ethyl)amino)acetate hydrochloride
Properties
- Molecular formula
- C15H17Cl2NO2S
- Molar mass
- 346.27 g/mol
- Exact mass
- 345.0357 Da
- logP
- 3.87Crippen estimate
- Polar surface area
- 38.3 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 6
- Stereocentres
- Sin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
141109-19-5SMILES
COC(=O)[C@@H](NCCc1cccs1)c1ccccc1Cl.ClInChIKey
ZXANKCFSGFEBQW-UQKRIMTDSA-NInChI
InChI=1S/C15H16ClNO2S.ClH/c1-19-15(18)14(12-6-2-3-7-13(12)16)17-9-8-11-5-4-10-20-11;/h2-7,10,14,17H,8-9H2,1H3;1H/t14-;/m0./s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
7 names
- Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, hydrochloride (1:1), (αS)-
- Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, hydrochloride, (S)-
- Benzeneacetic acid, 2-chloro-α-[[2-(2-thienyl)ethyl]amino]-, methyl ester, hydrochloride, (αS)-
- (+)-(S)-Methyl α-[[2-(2-thienyl)ethyl]amino]-α-(2-chlorophenyl)acetate hydrochloride
- (S)-(+)-Methyl α-[[2-(thien-2-yl)ethyl]amino]-α-(2-chlorophenyl)acetate hydrochloride
- (+)-Methyl α-(2-thienylethamino)-α-(2-chlorophenyl)acetate hydrochloride
- (S)-Methyl 2-(2-chlorophenyl)-2-((2-(thiophen-2-yl)ethyl)amino)acetate hydrochloride
Work with Methyl (2S)-2-(2-chlorophenyl)-2-((2-(thiophen-2-YL)ethyl)amino)acetate hydrochloride
Similar compounds
Methyl α-bromo-2-chlorobenzeneacetate85259-19-448 % similar
Methyl (alphaS)-alpha-amino-2-chlorobenzeneacetate141109-14-045 % similar
Methyl (2R)-2-amino-2-(2-chlorophenyl)acetate141109-16-245 % similar
Clopidogrel113665-84-245 % similar
Clopidogrel bisulfate120202-66-640 % similar
(R)-Clopidogrel bisulfate120202-71-340 % similar
(+-)-Clopidogrel bisulfate135046-48-940 % similar
Methyl (2-thienyl)acetate19432-68-939 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds