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Home > Pyridines > 177584-46-2
177584-46-2 | 2-[(6-acetamidopyridin-3-yl)sulfanyl]benzoic acid
CAS No: 177584-46-2 Catalog No: AG00IR0M MDL No:MFCD01315179
Product Description
Catalog Number:
AG00IR0M
Chemical Name:
2-[(6-acetamidopyridin-3-yl)sulfanyl]benzoic acid
CAS Number:
177584-46-2
Molecular Formula:
C14H12N2O3S
Molecular Weight:
288.3217
MDL Number:
MFCD01315179
IUPAC Name:
2-(6-acetamidopyridin-3-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C14H12N2O3S/c1-9(17)16-13-7-6-10(8-15-13)20-12-5-3-2-4-11(12)14(18)19/h2-8H,1H3,(H,18,19)(H,15,16,17)
InChI Key:
FURRGCDQVWCZHU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1ccc(cn1)Sc1ccccc1C(=O)O
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.321g/mol
Monoisotopic Mass:
288.057g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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 |
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