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Home > Imidazoles > 89029-09-4
89029-09-4 | 1H-Benzimidazole, 2-(ethylthio)-5-isothiocyanato-
CAS No: 89029-09-4 Catalog No: AG00442L MDL No:
Product Description
Catalog Number:
AG00442L
Chemical Name:
1H-Benzimidazole, 2-(ethylthio)-5-isothiocyanato-
CAS Number:
89029-09-4
Molecular Formula:
C10H9N3S2
Molecular Weight:
235.3286
IUPAC Name:
2-ethylsulfanyl-6-isothiocyanato-1H-benzimidazole
InChI:
InChI=1S/C10H9N3S2/c1-2-15-10-12-8-4-3-7(11-6-14)5-9(8)13-10/h3-5H,2H2,1H3,(H,12,13)
InChI Key:
UTNRUSMVVNZILV-UHFFFAOYSA-N
SMILES:
CCSc1[nH]c2c(n1)cc(cc2)N=C=S
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.024g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.323g/mol
Monoisotopic Mass:
235.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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