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89390-10-3 | Benzenecarbothioamide, 2,2'-dithiobis[N-ethyl-
CAS No: 89390-10-3 Catalog No: AG0058H0 MDL No:
Product Description
Catalog Number:
AG0058H0
Chemical Name:
Benzenecarbothioamide, 2,2'-dithiobis[N-ethyl-
CAS Number:
89390-10-3
Molecular Formula:
C18H20N2S4
Molecular Weight:
392.6248
IUPAC Name:
N-ethyl-2-[[2-(ethylcarbamothioyl)phenyl]disulfanyl]benzenecarbothioamide
InChI:
InChI=1S/C18H20N2S4/c1-3-19-17(21)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(22)20-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)
InChI Key:
TUNUVPMCCKCTGV-UHFFFAOYSA-N
SMILES:
CCNC(=S)c1ccccc1SSc1ccccc1C(=S)NCC
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
392.051g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
392.612g/mol
Monoisotopic Mass:
392.051g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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