Home Other Building Blocks 2-Methoxybenzenethiol

2-Methoxybenzenethiol

CAS No.:
7217-59-6
Catalog Number:
AG0033DQ
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$16
- +
5g
>98.0%(GC)
1 week
United States
$62
- +
25g
>98.0%(GC)
1 week
United States
$102
- +
Product Description
Catalog Number:
AG0033DQ
Chemical Name:
2-Methoxybenzenethiol
CAS Number:
7217-59-6
Molecular Formula:
C7H8OS
Molecular Weight:
140.2028
MDL Number:
MFCD00004834
IUPAC Name:
2-methoxybenzenethiol
InChI:
InChI=1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChI Key:
DSCJETUEDFKYGN-UHFFFAOYSA-N
SMILES:
COc1ccccc1S
EC Number:
230-605-7
UNII:
90HAL41673
FEMA Number:
4159
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:
2.3  
Literature
Title Journal
Identifying chelators for metalloprotein inhibitors using a fragment-based approach. Journal of medicinal chemistry 20110127
Properties