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887589-76-6 | 1H-PURINE-8-SULFENAMIDE
CAS No: 887589-76-6 Catalog No: AG004DER MDL No:
Product Description
Catalog Number:
AG004DER
Chemical Name:
1H-PURINE-8-SULFENAMIDE
CAS Number:
887589-76-6
Molecular Formula:
C5H5N5S
Molecular Weight:
167.1917
IUPAC Name:
S-(7H-purin-8-yl)thiohydroxylamine
InChI:
InChI=1S/C5H5N5S/c6-11-5-9-3-1-7-2-8-4(3)10-5/h1-2H,6H2,(H,7,8,9,10)
InChI Key:
KTUHBEAQDPCSLP-UHFFFAOYSA-N
SMILES:
NSc1nc2c(n1)c[nH]cn2
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.027g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.19g/mol
Monoisotopic Mass:
167.027g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Liver injury in inflammatory bowel disease: long-term follow-up study of 786 patients. | Inflammatory bowel diseases 20070901 |
| Tioguanine in patients with Crohn's disease intolerant or resistant to azathioprine/mercaptopurine. | Alimentary pharmacology & therapeutics 20030815 |
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