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138893-01-3 | 9H-Purine-6-sulfenamide
CAS No: 138893-01-3 Catalog No: AG0019RV MDL No:MFCD28667576
Product Description
Catalog Number:
AG0019RV
Chemical Name:
9H-Purine-6-sulfenamide
CAS Number:
138893-01-3
Molecular Formula:
C5H5N5S
Molecular Weight:
167.1917
MDL Number:
MFCD28667576
IUPAC Name:
S-(7H-purin-6-yl)thiohydroxylamine
InChI:
InChI=1S/C5H5N5S/c6-11-5-3-4(8-1-7-3)9-2-10-5/h1-2H,6H2,(H,7,8,9,10)
InChI Key:
RSHGJQIYWRWTKH-UHFFFAOYSA-N
SMILES:
NSc1ncnc2c1nc[nH]2
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
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