Name: Name:methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate
Brand: Angene
SKU: AG01DWES
Rating: 90 (10 reviews)

methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate

CAS No.:

403860-08-2

Catalog Number:

AG01DWES

Molecular Formula:

C8H6ClNO2S

Molecular Weight:

215.6567

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Product Description

Catalog Number:

AG01DWES

Chemical Name:

methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate

CAS Number:

403860-08-2

Molecular Formula:

C8H6ClNO2S

Molecular Weight:

215.6567

MDL Number:

MFCD14796029

IUPAC Name:

methyl 2-chloro-4H-thieno[3,2-b]pyrrole-5-carboxylate

InChI:

InChI=1S/C8H6ClNO2S/c1-12-8(11)5-2-6-4(10-5)3-7(9)13-6/h2-3,10H,1H3

InChI Key:

QETCAFYGBABJCO-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc2c([nH]1)cc(s2)Cl

Properties

Complexity:

226

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

214.981g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.651g/mol

Monoisotopic Mass:

214.981g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101