Name: Name:3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid
Brand: Angene
SKU: AG0020FI
Rating: 90 (10 reviews)

3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid

CAS No.:

175202-14-9

Catalog Number:

AG0020FI

Molecular Formula:

C9H11IO4S3

Molecular Weight:

406.2807

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

1 week

United States

$434

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Product Description

Catalog Number:

AG0020FI

Chemical Name:

3-Iodo-4-(isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxylic acid

CAS Number:

175202-14-9

Molecular Formula:

C9H11IO4S3

Molecular Weight:

406.2807

MDL Number:

MFCD00085097

IUPAC Name:

3-iodo-5-methylsulfanyl-4-propan-2-ylsulfonylthiophene-2-carboxylic acid

InChI:

InChI=1S/C9H11IO4S3/c1-4(2)17(13,14)7-5(10)6(8(11)12)16-9(7)15-3/h4H,1-3H3,(H,11,12)

InChI Key:

JZPDZYQLJHQPEI-UHFFFAOYSA-N

SMILES:

CSc1sc(c(c1S(=O)(=O)C(C)C)I)C(=O)O

Properties

Complexity:

390

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

405.886g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

406.267g/mol

Monoisotopic Mass:

405.886g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

133A^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