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7139-34-6 | 3H-1,2,4-Dithiazole-3-thione, 5-phenyl-
CAS No: 7139-34-6 Catalog No: AG0068OH MDL No:
Product Description
Catalog Number:
AG0068OH
Chemical Name:
3H-1,2,4-Dithiazole-3-thione, 5-phenyl-
CAS Number:
7139-34-6
Molecular Formula:
C8H5NS3
Molecular Weight:
211.3270
IUPAC Name:
5-phenyl-1,2,4-dithiazole-3-thione
InChI:
InChI=1S/C8H5NS3/c10-8-9-7(11-12-8)6-4-2-1-3-5-6/h1-5H
InChI Key:
WXFQYBWOZDLWJJ-UHFFFAOYSA-N
SMILES:
S=c1ssc(n1)c1ccccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.315g/mol
Monoisotopic Mass:
210.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| 1,2,4-Dithiazole-5-ones and 5-thiones as efficient sulfurizing agents of phosphorus(III) compounds--a kinetic comparative study. | Organic & biomolecular chemistry 20121128 |
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