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Clopidogrel EP Impurity F

CAT: 1299-RM-C160713-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C160713-01Size:10 mg
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CAS Number
141109-20-8
Synonyms
(S) -methyl 2- (2-chlorophenyl) -2- ((2- (thiophen-2-yl) ethyl) amino) acetate
Molecular Formula
C15H16ClNO2S
Molecular Weight
309.81
Target Alternative Name
Clopidogrel
Product Name Synonym
(S) -methyl 2- (2-chlorophenyl) -2- ((2- (thiophen-2-yl) ethyl) amino) acetate

Chemical Information

Methyl (alphaS)-2-chloro-alpha-((2-(2-thienyl)ethyl)amino)benzeneacetate
CAS Number141109-20-8
PubChem CID11120447
IUPAC Namemethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate
Molecular FormulaC15H16ClNO2S
Molecular Weight309.8
XLogP3.7
Topological Polar Surface Area66.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count20
Formal Charge0
Complexity316
SMILES
COC(=O)[C@H](C1=CC=CC=C1Cl)NCCC2=CC=CS2
InChI
InChI=1S/C15H16ClNO2S/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/t14-/m0/s1
InChIKey
PAOGEKGFTGONII-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of Methyl (alphaS)-2-chloro-alpha-((2-(2-thienyl)ethyl)amino)benzeneacetate
CAS: 141109-20-8
CID: 11120447
Formula: C15H16ClNO2S
MW: 309.8
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight309.8
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass309.0590276
Monoisotopic Mass309.0590276
Topological Polar Surface Area66.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity316
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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