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132765-35-6 | Propanenitrile, 3,3'-[(2-thioxo-1,3-dithiole-4,5-diyl)bis(thio)]bis-
CAS No: 132765-35-6 Catalog No: AG001148 MDL No:MFCD01096160
Product Description
Catalog Number:
AG001148
Chemical Name:
Propanenitrile, 3,3'-[(2-thioxo-1,3-dithiole-4,5-diyl)bis(thio)]bis-
CAS Number:
132765-35-6
Molecular Formula:
C9H8N2S5
Molecular Weight:
304.4982
MDL Number:
MFCD01096160
IUPAC Name:
3-[[5-(2-cyanoethylsulfanyl)-2-sulfanylidene-1,3-dithiol-4-yl]sulfanyl]propanenitrile
InChI:
InChI=1S/C9H8N2S5/c10-3-1-5-13-7-8(14-6-2-4-11)16-9(12)15-7/h1-2,5-6H2
InChI Key:
DRMGXZWMQXEMKB-UHFFFAOYSA-N
SMILES:
N#CCCSc1sc(=S)sc1SCCC#N
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.929g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.477g/mol
Monoisotopic Mass:
303.929g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
181A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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