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2038-32-6 | 4-Pyrimidinamine, 6-(methylthio)-
CAS No: 2038-32-6 Catalog No: AG00294M MDL No:MFCD18820909
Product Description
Catalog Number:
AG00294M
Chemical Name:
4-Pyrimidinamine, 6-(methylthio)-
CAS Number:
2038-32-6
Molecular Formula:
C5H7N3S
Molecular Weight:
141.1942
MDL Number:
MFCD18820909
IUPAC Name:
6-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C5H7N3S/c1-9-5-2-4(6)7-3-8-5/h2-3H,1H3,(H2,6,7,8)
InChI Key:
ZTPARTFFNQLVSF-UHFFFAOYSA-N
SMILES:
CSc1cc(N)ncn1
NSC Number:
43014
Properties
Complexity:
88.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.036g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.192g/mol
Monoisotopic Mass:
141.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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