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928307-24-8

928307-24-8 | 1H-Benzimidazole-1-carbodithioic acid, 2-nonyl-, phenylmethyl ester

CAS No: 928307-24-8 Catalog No: AG0068W9 MDL No:

Product Description

Catalog Number:
AG0068W9
Chemical Name:
1H-Benzimidazole-1-carbodithioic acid, 2-nonyl-, phenylmethyl ester
CAS Number:
928307-24-8
Molecular Formula:
C24H30N2S2
Molecular Weight:
410.6384
IUPAC Name:
benzyl 2-nonylbenzimidazole-1-carbodithioate
InChI:
InChI=1S/C24H30N2S2/c1-2-3-4-5-6-7-11-18-23-25-21-16-12-13-17-22(21)26(23)24(27)28-19-20-14-9-8-10-15-20/h8-10,12-17H,2-7,11,18-19H2,1H3
InChI Key:
OXMSDOZRWAXFCY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCc1nc2c(n1C(=S)SCc1ccccc1)cccc2

Properties

Complexity:
450  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.185g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.638g/mol
Monoisotopic Mass:
410.185g/mol
Rotatable Bond Count:
11  
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.8  

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