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Home Other Building Blocks 2,6-Dimethylthiophenol

2,6-Dimethylthiophenol

CAS No.:
118-72-9
Catalog Number:
AG003G5J
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$63
- +
5g
95%
In Stock USA
United States
$200
- +
25g
95%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003G5J
Chemical Name:
2,6-Dimethylthiophenol
CAS Number:
118-72-9
Molecular Formula:
C8H10S
Molecular Weight:
138.2300
MDL Number:
MFCD00010021
IUPAC Name:
2,6-dimethylbenzenethiol
InChI:
InChI=1S/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChI Key:
QCLJODDRBGKIRW-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1S)C
EC Number:
204-272-3
UNII:
3A223G78P4
FEMA Number:
3666
Properties
Complexity:
80.6  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.05g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
138.228g/mol
Monoisotopic Mass:
138.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Literature
Title Journal
Mechanistic studies and methods to prevent aglycon transfer of thioglycosides. Journal of the American Chemical Society 20060906
Monomeric, one- and two-dimensional networks incorporating (2,6-Me2C6H3S)2Pb building blocks. Dalton transactions (Cambridge, England : 2003) 20041107
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor. Journal of medicinal chemistry 20020718
Properties