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1191-08-8 | 1,4-BUTANEDITHIOL
CAS No: 1191-08-8 Catalog No: AG000I6V MDL No:MFCD00004906
Product Description
Catalog Number:
AG000I6V
Chemical Name:
1,4-BUTANEDITHIOL
CAS Number:
1191-08-8
Molecular Formula:
C4H10S2
Molecular Weight:
122.2522
MDL Number:
MFCD00004906
IUPAC Name:
butane-1,4-dithiol
InChI:
InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
InChI Key:
SMTOKHQOVJRXLK-UHFFFAOYSA-N
SMILES:
SCCCCS
EC Number:
214-728-3
UNII:
7JD227IUMC
NSC Number:
60198
Properties
Complexity:
17.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.022g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
122.244g/mol
Monoisotopic Mass:
122.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| Interstaple dithiol cross-linking in Au25(SR)18 nanomolecules: a combined mass spectrometric and computational study. | Journal of the American Chemical Society 20111221 |
| On the thermodynamic stability of alpha,omega-alkanedithiols self-assembled monolayers on unreconstructed and reconstructed Au(111). | Langmuir : the ACS journal of surfaces and colloids 20100615 |
| Deposition of gold nanoparticles onto thiol-functionalized multiwalled carbon nanotubes. | The journal of physical chemistry. B 20050901 |
| Gating of enhanced electron-charging thresholds in self-assembled nanoparticle films. | The journal of physical chemistry. B 20050818 |
| The RS-.HSR Hydrogen Bond: acidities of alpha,omega-dithiols and electron affinities of their monoradicals. | Journal of the American Chemical Society 20011010 |
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