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141622-32-4 | Thiazolo[4,5-d]pyrimidin-7(6H)-one, 2,3-dihydro-5-methyl-3-phenyl-2-thioxo-
CAS No: 141622-32-4 Catalog No: AG001GOV MDL No:MFCD02679236
Product Description
Catalog Number:
AG001GOV
Chemical Name:
Thiazolo[4,5-d]pyrimidin-7(6H)-one, 2,3-dihydro-5-methyl-3-phenyl-2-thioxo-
CAS Number:
141622-32-4
Molecular Formula:
C12H9N3OS2
Molecular Weight:
275.3494
MDL Number:
MFCD02679236
IUPAC Name:
5-methyl-3-phenyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C12H9N3OS2/c1-7-13-10-9(11(16)14-7)18-12(17)15(10)8-5-3-2-4-6-8/h2-6H,1H3,(H,13,14,16)
InChI Key:
SBNWDVUYFCQHKQ-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)c2c(n1)n(c1ccccc1)c(=S)s2
NSC Number:
652022
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.019g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.344g/mol
Monoisotopic Mass:
275.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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