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88956-63-2 | 2(1H)-Pyrimidinethione, 5-[(3-chlorophenyl)azo]-4,6-dimethyl-
CAS No: 88956-63-2 Catalog No: AG0046LP MDL No:
Product Description
Catalog Number:
AG0046LP
Chemical Name:
2(1H)-Pyrimidinethione, 5-[(3-chlorophenyl)azo]-4,6-dimethyl-
CAS Number:
88956-63-2
Molecular Formula:
C12H11ClN4S
Molecular Weight:
278.7605
IUPAC Name:
5-[(3-chlorophenyl)diazenyl]-4,6-dimethyl-1H-pyrimidine-2-thione
InChI:
InChI=1S/C12H11ClN4S/c1-7-11(8(2)15-12(18)14-7)17-16-10-5-3-4-9(13)6-10/h3-6H,1-2H3,(H,14,15,18)
InChI Key:
VEQWXWQORZVZRL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)N=Nc1c(C)nc(=S)[nH]c1C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.758g/mol
Monoisotopic Mass:
278.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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