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885269-49-8 | 5-Pyrimidinemethanamine,4-chloro-6-(methylthio)-
CAS No: 885269-49-8 Catalog No: AG00486K MDL No:
Product Description
Catalog Number:
AG00486K
Chemical Name:
5-Pyrimidinemethanamine,4-chloro-6-(methylthio)-
CAS Number:
885269-49-8
Molecular Formula:
C6H8ClN3S
Molecular Weight:
189.6658
IUPAC Name:
(4-chloro-6-methylsulfanylpyrimidin-5-yl)methanamine
InChI:
InChI=1S/C6H8ClN3S/c1-11-6-4(2-8)5(7)9-3-10-6/h3H,2,8H2,1H3
InChI Key:
AEGUYPOBNBUBFX-UHFFFAOYSA-N
SMILES:
CSc1ncnc(c1CN)Cl
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.013g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.661g/mol
Monoisotopic Mass:
189.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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