Name: Name:2-[(5-chlorothiophen-2-yl)methanesulfonyl]acetic acid
Brand: Angene
SKU: AG019NT5
Rating: 90 (10 reviews)

2-[(5-chlorothiophen-2-yl)methanesulfonyl]acetic acid

CAS No.:

851175-94-5

Catalog Number:

AG019NT5

Molecular Formula:

C7H7ClO4S2

Molecular Weight:

254.7111

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Product Description

Catalog Number:

AG019NT5

Chemical Name:

2-[(5-chlorothiophen-2-yl)methanesulfonyl]acetic acid

CAS Number:

851175-94-5

Molecular Formula:

C7H7ClO4S2

Molecular Weight:

254.7111

MDL Number:

MFCD06373469

IUPAC Name:

2-[(5-chlorothiophen-2-yl)methylsulfonyl]acetic acid

InChI:

InChI=1S/C7H7ClO4S2/c8-6-2-1-5(13-6)3-14(11,12)4-7(9)10/h1-2H,3-4H2,(H,9,10)

InChI Key:

RJPVNCUCZOEJGC-UHFFFAOYSA-N

SMILES:

OC(=O)CS(=O)(=O)Cc1ccc(s1)Cl

Properties

Complexity:

308

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

253.947g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.699g/mol

Monoisotopic Mass:

253.947g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

108A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

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