Name: Name:2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid
Brand: Angene
SKU: AG019IAT
Rating: 90 (10 reviews)

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid

CAS No.:

565179-69-3

Catalog Number:

AG019IAT

Molecular Formula:

C11H8N2O4S2

Molecular Weight:

296.3222

Catalog Number:

AG019IAT

Chemical Name:

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid

CAS Number:

565179-69-3

Molecular Formula:

C11H8N2O4S2

Molecular Weight:

296.3222

MDL Number:

MFCD03988219

IUPAC Name:

2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-5-nitrobenzoic acid

InChI:

InChI=1S/C11H8N2O4S2/c1-6-5-18-11(12-6)19-9-3-2-7(13(16)17)4-8(9)10(14)15/h2-5H,1H3,(H,14,15)

InChI Key:

SCXAUDOXQHFBOC-UHFFFAOYSA-N

SMILES:

Cc1csc(n1)Sc1ccc(cc1C(=O)O)[N+](=O)[O-]

Complexity:

363

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

295.993g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

296.315g/mol

Monoisotopic Mass:

295.993g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

150A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1