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Home > Imidazoles > 130100-08-2
130100-08-2 | 2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-oxiranylmethyl)-3-(2-thiiranylmethyl)-
CAS No: 130100-08-2 Catalog No: AG000U0N MDL No:
Product Description
Catalog Number:
AG000U0N
Chemical Name:
2H-Benzimidazol-2-one, 1,3-dihydro-1-(2-oxiranylmethyl)-3-(2-thiiranylmethyl)-
CAS Number:
130100-08-2
Molecular Formula:
C13H14N2O2S
Molecular Weight:
262.3275
IUPAC Name:
1-(oxiran-2-ylmethyl)-3-(thiiran-2-ylmethyl)benzimidazol-2-one
InChI:
InChI=1S/C13H14N2O2S/c16-13-14(5-9-7-17-9)11-3-1-2-4-12(11)15(13)6-10-8-18-10/h1-4,9-10H,5-8H2
InChI Key:
PVNJZTPYXVENIB-UHFFFAOYSA-N
SMILES:
O=c1n(CC2SC2)c2c(n1CC1OC1)cccc2
NSC Number:
653501
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.078g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.327g/mol
Monoisotopic Mass:
262.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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