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41563-69-3 | 1,3-Benzenedimethanethiol
CAS No: 41563-69-3 Catalog No: AG003DGZ MDL No:MFCD00012311
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 |
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