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87590-86-1 | N-BENZYL-1-(4-DIMETHYLAMINOPHENYL)SULFANYL-METHANETHIOAMIDE
CAS No: 87590-86-1 Catalog No: AG004IL3 MDL No:
Product Description
Catalog Number:
AG004IL3
Chemical Name:
N-BENZYL-1-(4-DIMETHYLAMINOPHENYL)SULFANYL-METHANETHIOAMIDE
CAS Number:
87590-86-1
Molecular Formula:
C16H18N2S2
Molecular Weight:
302.4575
IUPAC Name:
[4-(dimethylamino)phenyl] N-benzylcarbamodithioate
InChI:
InChI=1S/C16H18N2S2/c1-18(2)14-8-10-15(11-9-14)20-16(19)17-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,17,19)
InChI Key:
KFBGWQWBGZVEKE-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)SC(=S)NCc1ccccc1)C
NSC Number:
378708
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.091g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
302.454g/mol
Monoisotopic Mass:
302.091g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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