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116230-29-6 | 2(1H)-Pyrimidinethione, 4-amino-6-chloro-
CAS No: 116230-29-6 Catalog No: AG000C03 MDL No:
Product Description
Catalog Number:
AG000C03
Chemical Name:
2(1H)-Pyrimidinethione, 4-amino-6-chloro-
CAS Number:
116230-29-6
Molecular Formula:
C4H4ClN3S
Molecular Weight:
161.6127
IUPAC Name:
4-amino-6-chloro-1H-pyrimidine-2-thione
InChI:
InChI=1S/C4H4ClN3S/c5-2-1-3(6)8-4(9)7-2/h1H,(H3,6,7,8,9)
InChI Key:
FXUDMQXADIQKFJ-UHFFFAOYSA-N
SMILES:
Nc1cc(Cl)[nH]c(=S)n1
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
161.607g/mol
Monoisotopic Mass:
160.981g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
82.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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