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87450-80-4 | 4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 6,7-dihydro-3,7-dimethyl-
CAS No: 87450-80-4 Catalog No: AG008DF8 MDL No:
Product Description
Catalog Number:
AG008DF8
Chemical Name:
4H-Thiazolo[2,3-c][1,2,4]triazin-4-one, 6,7-dihydro-3,7-dimethyl-
CAS Number:
87450-80-4
Molecular Formula:
C7H9N3OS
Molecular Weight:
183.2309
IUPAC Name:
3,7-dimethyl-6,7-dihydro-[1,3]thiazolo[2,3-c][1,2,4]triazin-4-one
InChI:
InChI=1S/C7H9N3OS/c1-4-3-10-6(11)5(2)8-9-7(10)12-4/h4H,3H2,1-2H3
InChI Key:
VCSXDLQXUYYGOC-UHFFFAOYSA-N
SMILES:
CC1Cn2c(S1)nnc(c2=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.047g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.229g/mol
Monoisotopic Mass:
183.047g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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