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102516-99-4 | 1H-Benzimidazole, 2-[(dodecylthio)methyl]-, hydrochloride (1:1)
CAS No: 102516-99-4 Catalog No: AG0007MP MDL No:
Product Description
Catalog Number:
AG0007MP
Chemical Name:
1H-Benzimidazole, 2-[(dodecylthio)methyl]-, hydrochloride (1:1)
CAS Number:
102516-99-4
Molecular Formula:
C20H33ClN2S
Molecular Weight:
369.0074
IUPAC Name:
2-(dodecylsulfanylmethyl)-2,3-dihydro-1H-benzimidazole;chloride
InChI:
InChI=1S/C20H34N2S.ClH/c1-2-3-4-5-6-7-8-9-10-13-16-23-17-20-21-18-14-11-12-15-19(18)22-20;/h11-12,14-15,20-22H,2-10,13,16-17H2,1H3;1H/p-1
InChI Key:
BWKGTXXDTJDVJE-UHFFFAOYSA-M
SMILES:
CCCCCCCCCCCCSCc1nc2c([nH]1)cccc2.Cl
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.213g/mol
Formal Charge:
-1
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.016g/mol
Monoisotopic Mass:
369.213g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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