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176324-57-5 | 3H-1,2-Dithiole-3-thione, 5-(butylthio)-
CAS No: 176324-57-5 Catalog No: AG0024KS MDL No:
Product Description
Catalog Number:
AG0024KS
Chemical Name:
3H-1,2-Dithiole-3-thione, 5-(butylthio)-
CAS Number:
176324-57-5
Molecular Formula:
C7H10S4
Molecular Weight:
222.4143
IUPAC Name:
5-butylsulfanyldithiole-3-thione
InChI:
InChI=1S/C7H10S4/c1-2-3-4-9-7-5-6(8)10-11-7/h5H,2-4H2,1H3
InChI Key:
JULNUTMRMQLXAU-UHFFFAOYSA-N
SMILES:
CCCCSc1cc(=S)ss1
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.967g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.397g/mol
Monoisotopic Mass:
221.967g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| In vitro-in vivo antifungal evaluation and structure-activity relationships of 3H-1,2-dithiole-3-thione derivatives. | Farmaco (Societa chimica italiana : 1989) 20040401 |
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