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141075-92-5 | 1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 5,6-dihydro-3-phenyl-
CAS No: 141075-92-5 Catalog No: AG001FUQ MDL No:
Product Description
Catalog Number:
AG001FUQ
Chemical Name:
1,2,4-Triazolo[3,4-b][1,3,4]thiadiazole, 5,6-dihydro-3-phenyl-
CAS Number:
141075-92-5
Molecular Formula:
C9H8N4S
Molecular Weight:
204.2516
IUPAC Name:
3-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
InChI:
InChI=1S/C9H8N4S/c1-2-4-7(5-3-1)8-11-12-9-13(8)10-6-14-9/h1-5,10H,6H2
InChI Key:
VPUMLSJJNMJHKI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2n1NCS2
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.047g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.251g/mol
Monoisotopic Mass:
204.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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