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Home Other Building Blocks 5-(4-Hydroxyphenyl)-3h-1,2-dithiole-3-thione

5-(4-Hydroxyphenyl)-3h-1,2-dithiole-3-thione

CAS No.:
18274-81-2
Catalog Number:
AG00243Y
Molecular Formula:
C9H6OS3
Molecular Weight:
226.3383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$55
- +
250mg
95%
In Stock USA
United States
$104
- +
1g
95%
In Stock USA
United States
$205
- +
Product Description
Catalog Number:
AG00243Y
Chemical Name:
5-(4-Hydroxyphenyl)-3h-1,2-dithiole-3-thione
CAS Number:
18274-81-2
Molecular Formula:
C9H6OS3
Molecular Weight:
226.3383
MDL Number:
MFCD20922704
IUPAC Name:
5-(4-hydroxyphenyl)dithiole-3-thione
InChI:
InChI=1S/C9H6OS3/c10-7-3-1-6(2-4-7)8-5-9(11)13-12-8/h1-5,10H
InChI Key:
IWBBKLMHAILHAR-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ssc(=S)c1
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.958g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.326g/mol
Monoisotopic Mass:
225.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Differential effects of cystathionine-γ-lyase-dependent vasodilatory H2S in periadventitial vasoregulation of rat and mouse aortas. PloS one 20120101
HPLC determination of novel dithiolethione containing drugs and its application for in vivo studies in rats. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100201
New sulfurated derivatives of valproic acid with enhanced histone deacetylase inhibitory activity. Bioorganic & medicinal chemistry letters 20080315
Properties