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124724-18-1 | Thiazolo[4,5-d]pyrimidin-7(6H)-one, 2,3-dihydro-3,5-dimethyl-2-thioxo-
CAS No: 124724-18-1 Catalog No: AG000MOG MDL No:
Product Description
Catalog Number:
AG000MOG
Chemical Name:
Thiazolo[4,5-d]pyrimidin-7(6H)-one, 2,3-dihydro-3,5-dimethyl-2-thioxo-
CAS Number:
124724-18-1
Molecular Formula:
C7H7N3OS2
Molecular Weight:
213.2800
IUPAC Name:
3,5-dimethyl-2-sulfanylidene-6H-[1,3]thiazolo[4,5-d]pyrimidin-7-one
InChI:
InChI=1S/C7H7N3OS2/c1-3-8-5-4(6(11)9-3)13-7(12)10(5)2/h1-2H3,(H,8,9,11)
InChI Key:
UBJSDQUNZGNUDH-UHFFFAOYSA-N
SMILES:
Cc1[nH]c(=O)c2c(n1)n(C)c(=S)s2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.003g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.273g/mol
Monoisotopic Mass:
213.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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