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Home > Indoles and Oxindole > 67416-82-4
67416-82-4 | Carbamodithioic acid, diethyl-, (2-phenyl-1H-indol-3-yl)methyl ester
CAS No: 67416-82-4 Catalog No: AG0061YO MDL No:
Product Description
Catalog Number:
AG0061YO
Chemical Name:
Carbamodithioic acid, diethyl-, (2-phenyl-1H-indol-3-yl)methyl ester
CAS Number:
67416-82-4
Molecular Formula:
C20H22N2S2
Molecular Weight:
354.5321
IUPAC Name:
(2-phenyl-1H-indol-3-yl)methyl N,N-diethylcarbamodithioate
InChI:
InChI=1S/C20H22N2S2/c1-3-22(4-2)20(23)24-14-17-16-12-8-9-13-18(16)21-19(17)15-10-6-5-7-11-15/h5-13,21H,3-4,14H2,1-2H3
InChI Key:
JUOJISLWWXFCBZ-UHFFFAOYSA-N
SMILES:
CCN(C(=S)SCc1c([nH]c2c1cccc2)c1ccccc1)CC
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.122g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
354.53g/mol
Monoisotopic Mass:
354.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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