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13754-21-7

13754-21-7 | 4(3H)-Pyrimidinethione, 6-amino-5-nitro-

CAS No: 13754-21-7 Catalog No: AG0013JG MDL No:

Product Description

Catalog Number:
AG0013JG
Chemical Name:
4(3H)-Pyrimidinethione, 6-amino-5-nitro-
CAS Number:
13754-21-7
Molecular Formula:
C4H4N4O2S
Molecular Weight:
172.1652
IUPAC Name:
6-amino-5-nitro-1H-pyrimidine-4-thione
InChI:
InChI=1S/C4H4N4O2S/c5-3-2(8(9)10)4(11)7-1-6-3/h1H,(H3,5,6,7,11)
InChI Key:
GBZNXKPARWLUIS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)nc[nH]c1=S
NSC Number:
409301

Properties

Complexity:
276  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.005g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
172.162g/mol
Monoisotopic Mass:
172.005g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0

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