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91168-08-0 | 2H-Benzimidazole-2-thione, 5-(ethylthio)-1,3-dihydro-
CAS No: 91168-08-0 Catalog No: AG006DVU MDL No:
Product Description
Catalog Number:
AG006DVU
Chemical Name:
2H-Benzimidazole-2-thione, 5-(ethylthio)-1,3-dihydro-
CAS Number:
91168-08-0
Molecular Formula:
C9H10N2S2
Molecular Weight:
210.3191
IUPAC Name:
5-ethylsulfanyl-1,3-dihydrobenzimidazole-2-thione
InChI:
InChI=1S/C9H10N2S2/c1-2-13-6-3-4-7-8(5-6)11-9(12)10-7/h3-5H,2H2,1H3,(H2,10,11,12)
InChI Key:
IGVYIBRBKUIELA-UHFFFAOYSA-N
SMILES:
CCSc1ccc2c(c1)[nH]c(=S)[nH]2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
210.313g/mol
Monoisotopic Mass:
210.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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