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1005-38-5 | 4-Pyrimidinamine, 6-chloro-2-(methylthio)-
CAS No: 1005-38-5 Catalog No: AG00025N MDL No:MFCD00006088
Product Description
Catalog Number:
AG00025N
Chemical Name:
4-Pyrimidinamine, 6-chloro-2-(methylthio)-
CAS Number:
1005-38-5
Molecular Formula:
C5H6ClN3S
Molecular Weight:
175.6392
MDL Number:
MFCD00006088
IUPAC Name:
6-chloro-2-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C5H6ClN3S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3,(H2,7,8,9)
InChI Key:
ISUXMAHVLFRZQU-UHFFFAOYSA-N
SMILES:
CSc1nc(N)cc(n1)Cl
EC Number:
213-734-3
NSC Number:
19859
Properties
Complexity:
113
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:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.634g/mol
Monoisotopic Mass:
174.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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