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Home Other Building Blocks 3-Methoxybenzenethiol

3-Methoxybenzenethiol

CAS No.:
15570-12-4
Catalog Number:
AG001O4Y
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%(GC)
In Stock USA
United States
$61
- +
25g
98%(GC)
In Stock USA
United States
$128
- +
100g
98%(GC)
In Stock USA
United States
$421
- +
Product Description
Catalog Number:
AG001O4Y
Chemical Name:
3-Methoxybenzenethiol
CAS Number:
15570-12-4
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00004841
IUPAC Name:
3-methoxybenzenethiol
InChI:
InChI=1S/C7H8OS/c1-8-6-3-2-4-7(9)5-6/h2-5,9H,1H3
InChI Key:
QMVAZEHZOPDGHA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)S
EC Number:
239-617-7
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.03g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.2g/mol
Monoisotopic Mass:
140.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Literature
Title Journal
Selective inhibitors of the JMJD2 histone demethylases: combined nondenaturing mass spectrometric screening and crystallographic approaches. Journal of medicinal chemistry 20100225
New arylthioindoles: potent inhibitors of tubulin polymerization. 2. Structure-activity relationships and molecular modeling studies. Journal of medicinal chemistry 20060209
Properties