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129205-11-4 | 2-Propanol, 1-chloro-3-(9H-purin-6-ylthio)-
CAS No: 129205-11-4 Catalog No: AG000YY3 MDL No:
Product Description
Catalog Number:
AG000YY3
Chemical Name:
2-Propanol, 1-chloro-3-(9H-purin-6-ylthio)-
CAS Number:
129205-11-4
Molecular Formula:
C8H9ClN4OS
Molecular Weight:
244.7013
IUPAC Name:
1-chloro-3-(7H-purin-6-ylsulfanyl)propan-2-ol
InChI:
InChI=1S/C8H9ClN4OS/c9-1-5(14)2-15-8-6-7(11-3-10-6)12-4-13-8/h3-5,14H,1-2H2,(H,10,11,12,13)
InChI Key:
SBFPNPUFMUADFB-UHFFFAOYSA-N
SMILES:
OC(CCl)CSc1ncnc2c1nc[nH]2
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.019g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.697g/mol
Monoisotopic Mass:
244.019g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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