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13834-61-2 | 3H-1,2-Dithiole-3-thione, 5-(2-thienyl)-
CAS No: 13834-61-2 Catalog No: AG0018LK MDL No:
Product Description
Catalog Number:
AG0018LK
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(2-thienyl)-
CAS Number:
13834-61-2
Molecular Formula:
C7H4S4
Molecular Weight:
216.3667
IUPAC Name:
5-thiophen-2-yldithiole-3-thione
InChI:
InChI=1S/C7H4S4/c8-7-4-6(10-11-7)5-2-1-3-9-5/h1-4H
InChI Key:
CLOXIDYVLJLVIX-UHFFFAOYSA-N
SMILES:
S=c1ssc(c1)c1cccs1
NSC Number:
194603
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.349g/mol
Monoisotopic Mass:
215.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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