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2879-78-9 | 9H-Purin-2-amine, 9-(2-chloroethyl)-6-(methylthio)-
CAS No: 2879-78-9 Catalog No: AG002WHH MDL No:
Product Description
Catalog Number:
AG002WHH
Chemical Name:
9H-Purin-2-amine, 9-(2-chloroethyl)-6-(methylthio)-
CAS Number:
2879-78-9
Molecular Formula:
C8H10ClN5S
Molecular Weight:
243.7165
IUPAC Name:
9-(2-chloroethyl)-6-methylsulfanylpurin-2-amine
InChI:
InChI=1S/C8H10ClN5S/c1-15-7-5-6(12-8(10)13-7)14(3-2-9)4-11-5/h4H,2-3H2,1H3,(H2,10,12,13)
InChI Key:
WKNCGQLNEQWGJP-UHFFFAOYSA-N
SMILES:
ClCCn1cnc2c1nc(N)nc2SC
NSC Number:
87094
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.713g/mol
Monoisotopic Mass:
243.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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