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122891-19-4 | 1,3-Dithiole-2-thione, 4,5-bis(butylthio)-
CAS No: 122891-19-4 Catalog No: AG000JPY MDL No:
Product Description
Catalog Number:
AG000JPY
Chemical Name:
1,3-Dithiole-2-thione, 4,5-bis(butylthio)-
CAS Number:
122891-19-4
Molecular Formula:
C11H18S5
Molecular Weight:
310.5856
IUPAC Name:
4,5-bis(butylsulfanyl)-1,3-dithiole-2-thione
InChI:
InChI=1S/C11H18S5/c1-3-5-7-13-9-10(14-8-6-4-2)16-11(12)15-9/h3-8H2,1-2H3
InChI Key:
OGHGGNWVRJYGQS-UHFFFAOYSA-N
SMILES:
CCCCSc1sc(=S)sc1SCCCC
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.565g/mol
Monoisotopic Mass:
310.001g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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