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77708-93-1

77708-93-1 | 4(1H)-Pyrimidinone, 2,6-diamino-5-mercapto-

CAS No: 77708-93-1 Catalog No: AG005GJ9 MDL No:

Product Description

Catalog Number:
AG005GJ9
Chemical Name:
4(1H)-Pyrimidinone, 2,6-diamino-5-mercapto-
CAS Number:
77708-93-1
Molecular Formula:
C4H6N4OS
Molecular Weight:
158.1816
IUPAC Name:
2,4-diamino-5-sulfanyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H6N4OS/c5-2-1(10)3(9)8-4(6)7-2/h10H,(H5,5,6,7,8,9)
InChI Key:
FUEWRKKIWYXSHX-UHFFFAOYSA-N
SMILES:
O=c1nc(N)[nH]c(c1S)N

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.026g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
158.179g/mol
Monoisotopic Mass:
158.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
94.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

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