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Home > Imidazoles > 132474-64-7
132474-64-7 | Thiocyanic acid, 1H-benzimidazol-6-yl ester
CAS No: 132474-64-7 Catalog No: AG0010PW MDL No:
Product Description
Catalog Number:
AG0010PW
Chemical Name:
Thiocyanic acid, 1H-benzimidazol-6-yl ester
CAS Number:
132474-64-7
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
IUPAC Name:
3H-benzimidazol-5-yl thiocyanate
InChI:
InChI=1S/C8H5N3S/c9-4-12-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,(H,10,11)
InChI Key:
SOVILSLGXMMVFX-UHFFFAOYSA-N
SMILES:
N#CSc1ccc2c(c1)[nH]cn2
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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