Name: Name:2-{[(2,5-dimethylphenyl)sulfanyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid
Brand: Angene
SKU: AG00ICV3
Rating: 90 (10 reviews)

2-{[(2,5-dimethylphenyl)sulfanyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

CAS No.:

775315-04-3

Catalog Number:

AG00ICV3

Molecular Formula:

C17H16N2O3S2

Molecular Weight:

360.4505

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Product Description

Catalog Number:

AG00ICV3

Chemical Name:

2-{[(2,5-dimethylphenyl)sulfanyl]methyl}-5-methyl-4-oxo-3H,4H-thieno[2,3-d]pyrimidine-6-carboxylic acid

CAS Number:

775315-04-3

Molecular Formula:

C17H16N2O3S2

Molecular Weight:

360.4505

MDL Number:

MFCD06345765

IUPAC Name:

2-[(2,5-dimethylphenyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid

InChI:

InChI=1S/C17H16N2O3S2/c1-8-4-5-9(2)11(6-8)23-7-12-18-15(20)13-10(3)14(17(21)22)24-16(13)19-12/h4-6H,7H2,1-3H3,(H,21,22)(H,18,19,20)

InChI Key:

RJMDXFZYQNDCER-UHFFFAOYSA-N

SMILES:

Cc1ccc(c(c1)SCc1[nH]c(=O)c2c(n1)sc(c2C)C(=O)O)C

Properties

Complexity:

554

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

360.06g/mol

Formal Charge:

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Molecular Weight:

360.446g/mol

Monoisotopic Mass:

360.06g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

132A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9

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