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89273-03-0 | 1H-Imidazole-4-carbodithioic acid, 2-undecyl-, phenylmethyl ester
CAS No: 89273-03-0 Catalog No: AG0087GW MDL No:
Product Description
Catalog Number:
AG0087GW
Chemical Name:
1H-Imidazole-4-carbodithioic acid, 2-undecyl-, phenylmethyl ester
CAS Number:
89273-03-0
Molecular Formula:
C22H32N2S2
Molecular Weight:
388.6329
IUPAC Name:
benzyl 2-undecyl-1H-imidazole-5-carbodithioate
InChI:
InChI=1S/C22H32N2S2/c1-2-3-4-5-6-7-8-9-13-16-21-23-17-20(24-21)22(25)26-18-19-14-11-10-12-15-19/h10-12,14-15,17H,2-9,13,16,18H2,1H3,(H,23,24)
InChI Key:
QXKAKKNUZVXRHX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCc1[nH]cc(n1)C(=S)SCc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.201g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
388.632g/mol
Monoisotopic Mass:
388.201g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
86.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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