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140456-87-7 | 1,2,3,4,5,6-Hexathiocane-7-thione, 8-[(1-methylpropyl)amino]-8-phenyl-
CAS No: 140456-87-7 Catalog No: AG001CGS MDL No:
Product Description
Catalog Number:
AG001CGS
Chemical Name:
1,2,3,4,5,6-Hexathiocane-7-thione, 8-[(1-methylpropyl)amino]-8-phenyl-
CAS Number:
140456-87-7
Molecular Formula:
C12H15NS7
Molecular Weight:
397.7092
IUPAC Name:
8-(butan-2-ylamino)-8-phenylhexathiocane-7-thione
InChI:
InChI=1S/C12H15NS7/c1-3-9(2)13-12(10-7-5-4-6-8-10)11(14)15-17-19-20-18-16-12/h4-9,13H,3H2,1-2H3
InChI Key:
GSJNSLDKXCJMLK-UHFFFAOYSA-N
SMILES:
CCC(NC1(SSSSSSC1=S)c1ccccc1)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.925g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.679g/mol
Monoisotopic Mass:
396.925g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
196A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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