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4290-98-6 | 3H-1,2,4-Triazolo[4,3-a]benzimidazole-3-thione,1,2-dihydro-(9CI)
CAS No: 4290-98-6 Catalog No: AG00CYBG MDL No:MFCD01103518
Product Description
Catalog Number:
AG00CYBG
Chemical Name:
3H-1,2,4-Triazolo[4,3-a]benzimidazole-3-thione,1,2-dihydro-(9CI)
CAS Number:
4290-98-6
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
MDL Number:
MFCD01103518
IUPAC Name:
2,3-dihydro-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
InChI:
InChI=1S/C8H6N4S/c13-8-11-10-7-9-5-3-1-2-4-6(5)12(7)8/h1-4H,(H,9,10)(H,11,13)
InChI Key:
BJNKXZQNKYMVMM-UHFFFAOYSA-N
SMILES:
Sc1nnc2n1c1ccccc1[nH]2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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