Name: Name:1-[(5-methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid
Brand: Angene
SKU: AG019IMZ
Rating: 90 (10 reviews)

1-[(5-methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid

CAS No.:

1008281-37-5

Catalog Number:

AG019IMZ

Molecular Formula:

C10H13NO4S2

Molecular Weight:

275.3445

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Product Description

Catalog Number:

AG019IMZ

Chemical Name:

1-[(5-methylthiophen-2-yl)sulfonyl]pyrrolidine-2-carboxylic acid

CAS Number:

1008281-37-5

Molecular Formula:

C10H13NO4S2

Molecular Weight:

275.3445

MDL Number:

MFCD06255098

IUPAC Name:

1-(5-methylthiophen-2-yl)sulfonylpyrrolidine-2-carboxylic acid

InChI:

InChI=1S/C10H13NO4S2/c1-7-4-5-9(16-7)17(14,15)11-6-2-3-8(11)10(12)13/h4-5,8H,2-3,6H2,1H3,(H,12,13)

InChI Key:

XVCFDYYHZJBEBW-UHFFFAOYSA-N

SMILES:

OC(=O)C1CCCN1S(=O)(=O)c1ccc(s1)C

Properties

Complexity:

403

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

275.029g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

275.337g/mol

Monoisotopic Mass:

275.029g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501