Free Chemical Databases
-
[Synonyms]
ChemDiv2_001941
MLS000727642
NSC650584
AIDS139922
AIDS-139922
ZINC00032381
NCI60_017582
SMR000306339
ST044564
7-Chloro-3-phenyl[1,3]thiazolo[4,5-d]pyrimidine-2(3H)-thione
[Structure]
[ Properties Computed from Structure]
Molecular Weight 279.76844 [g/mol] Molecular Formula C11H6ClN3S2 XLogP 2.3 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 1 Exact Mass 278.969166 MonoIsotopic Mass 278.969166 Topological Polar Surface Area 29 Heavy Atom Count 17 Formal Charge 0 Complexity 309 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 7-chloro-3-phenyl-[1,3]thiazolo[5,4-e]pyrimidine-2-thione
Canonical SMILES: C1=CC=C(C=C1)N2C3=C(C(=NC=N3)Cl)SC2=S
InChI: InChI=1/C11H6ClN3S2/c12-9-8-10(14-6-13-9)15(11(16)17-8)7-4-2-1-3-5-7/h1-
6H
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