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5858-18-4 | 2,5-Dichlorobenzenethiol
CAS No: 5858-18-4 Catalog No: AG003FX9 MDL No:MFCD00004831
Product Description
Catalog Number:
AG003FX9
Chemical Name:
2,5-Dichlorobenzenethiol
CAS Number:
5858-18-4
Molecular Formula:
C6H4Cl2S
Molecular Weight:
179.0670
MDL Number:
MFCD00004831
IUPAC Name:
2,5-dichlorobenzenethiol
InChI:
InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI Key:
QIULLHZMZMGGFH-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)S)Cl
EC Number:
227-486-9
NSC Number:
49350
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.941g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.058g/mol
Monoisotopic Mass:
177.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
Literature
| Title | Journal |
|---|---|
| Low-temperature mobility and structure formation of a prochiral aromatic thiol (2,5-dichlorothiophenol) on Cu(111). | Langmuir : the ACS journal of surfaces and colloids 20040525 |
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