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1023758-31-7 | 4(1H)-Pyrimidinethione, 5-amino-6-chloro-2-methyl-
CAS No: 1023758-31-7 Catalog No: AG0007A5 MDL No:
Product Description
Catalog Number:
AG0007A5
Chemical Name:
4(1H)-Pyrimidinethione, 5-amino-6-chloro-2-methyl-
CAS Number:
1023758-31-7
Molecular Formula:
C5H6ClN3S
Molecular Weight:
175.6392
IUPAC Name:
5-amino-6-chloro-2-methyl-1H-pyrimidine-4-thione
InChI:
InChI=1S/C5H6ClN3S/c1-2-8-4(6)3(7)5(10)9-2/h7H2,1H3,(H,8,9,10)
InChI Key:
ITQZBHWJTOVORS-UHFFFAOYSA-N
SMILES:
S=c1nc(C)[nH]c(c1N)Cl
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.634g/mol
Monoisotopic Mass:
174.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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