Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester

CAS

90055-48-4

Catalog Number

ACM90055484

Category

Other Products

Molecular Weight

344.2561

Molecular Formula

C₁₆H₁₆NO₂SCl.HCl

MSDS COA Spec Sheet

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Specification

Synonyms

clopidogrel, Plavix, ( -)-Clopidogrel, Clopidogrelum [Latin], (plus,minus)-Clopidogrel, C16H16ClNO2S, Pcr 4099, CID2806, BB_SC-2102, PCR-4099, SC 25989C, SC 25990C, NCGC00159321-02, NCGC00159321-03, NCGC00159321-04, LS-152400, Methyl 2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)acetate, Thieno(3,2-c)pyridine-5(4H)-acetic acid, alpha-(2-chlorophenyl)-6,7-dihydro-, methyl ester, 120202-73-5, 90055-48-4

IUPAC Name

methyl 2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetate

Canonical SMILES

COC(=O)C(C1=CC=CC=C1Cl)N2CCC3=C(C2)C=CS3

InChI Key

GKTWGGQPFAXNFI-UHFFFAOYSA-N

Boiling Point

423.7ºC at 760mmHg

Flash Point

210ºC

Density

1.317g/cm³

Exact Mass

343.02000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The molecular formula is C15H15Cl2NO2S.

What is the PubChem CID of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The PubChem CID is 45358950.

What is the molecular weight of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The molecular weight is 344.3 g/mol.

What is the IUPAC name of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The IUPAC name is (2S)-2-(2-chlorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid;hydrochloride.

What is the InChI of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The InChI is InChI=1S/C15H14ClNO2S.ClH/c16-12-4-2-1-3-11(12)14(15(18)19)17-7-5-13-10(9-17)6-8-20-13;/h1-4,6,8,14H,5,7,9H2,(H,18,19);1H/t14-;/m0./s1.

What is the Canonical SMILES of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The Canonical SMILES is C1CN(CC2=C1SC=C2)C(C3=CC=CC=C3Cl)C(=O)O.Cl.

What is the CAS number of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The CAS number is 144750-42-5.

What is the hydrogen bond donor count of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The hydrogen bond acceptor count is 4.

What is the topological polar surface area of Thieno[3,2-c]pyridine-5(4H)-aceticacid,a-(2-chlorophenyl)-6,7-dihydro-,methyl ester?

The topological polar surface area is 68.8Å^2.