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919401-15-3 | Thiazolo[5,4-d]pyrimidin-7(4H)-one, 5,6-dihydro-2-(methylthio)-5-thioxo-
CAS No: 919401-15-3 Catalog No: AG0066QQ MDL No:
Product Description
Catalog Number:
AG0066QQ
Chemical Name:
Thiazolo[5,4-d]pyrimidin-7(4H)-one, 5,6-dihydro-2-(methylthio)-5-thioxo-
CAS Number:
919401-15-3
Molecular Formula:
C6H5N3OS3
Molecular Weight:
231.3184
IUPAC Name:
2-methylsulfanyl-5-sulfanylidene-4H-[1,3]thiazolo[5,4-d]pyrimidin-7-one
InChI:
InChI=1S/C6H5N3OS3/c1-12-6-7-2-3(10)8-5(11)9-4(2)13-6/h1H3,(H2,8,9,10,11)
InChI Key:
QHZPDMUEHPYLPP-UHFFFAOYSA-N
SMILES:
CSc1sc2c(n1)c(=O)[nH]c(=S)[nH]2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.959g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.306g/mol
Monoisotopic Mass:
230.959g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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