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Home Other Building Blocks 1,3-Benzenedimethanethiol

1,3-Benzenedimethanethiol

CAS No.:
41563-69-3
Catalog Number:
AG003DGZ
Molecular Formula:
C8H10S2
Molecular Weight:
170.2950
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)
1 week
United States
$249
- +
5g
>98.0%(GC)
1 week
United States
$674
- +
Product Description
Catalog Number:
AG003DGZ
Chemical Name:
1,3-Benzenedimethanethiol
CAS Number:
41563-69-3
Molecular Formula:
C8H10S2
Molecular Weight:
170.2950
MDL Number:
MFCD00012311
IUPAC Name:
[3-(sulfanylmethyl)phenyl]methanethiol
InChI:
InChI=1S/C8H10S2/c9-5-7-2-1-3-8(4-7)6-10/h1-4,9-10H,5-6H2
InChI Key:
JSNABGZJVWSNOB-UHFFFAOYSA-N
SMILES:
SCc1cccc(c1)CS
Properties
Complexity:
83.3  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.022g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
170.288g/mol
Monoisotopic Mass:
170.022g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Self-assembly of 1,4-benzenedimethanethiol self-assembled monolayers on gold. Langmuir : the ACS journal of surfaces and colloids 20100518
A highly selective, biofunctional surface for molecule/cell sorting. ACS applied materials & interfaces 20090201
Adsorption of 1,3-benzenedithiol and 1,3-benzenedimethanethiol on gold surfaces. Chemphyschem : a European journal of chemical physics and physical chemistry 20080825
Adsorption geometry variation of 1,4-benzenedimethanethiol self-assembled monolayers on Au(111) grown from the vapor phase. The Journal of chemical physics 20080407
Electrocatalysis of oxygen at hemoglobin-Au colloid-1,4-benzenedimethanethiol modified electrode. Annali di chimica 20060101
Properties