1,4-Butanedithiol - CAS 1191-08-8
Catalog: |
BB004411 |
Product Name: |
1,4-Butanedithiol |
CAS: |
1191-08-8 |
Synonyms: |
butane-1,4-dithiol |
IUPAC Name: | butane-1,4-dithiol |
Description: | 1,4-Butanedithiol (CAS# 1191-08-8) is a useful research chemical. |
Molecular Weight: | 122.25 |
Molecular Formula: | C4H10S2 |
Canonical SMILES: | C(CCS)CS |
InChI: | InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2 |
InChI Key: | SMTOKHQOVJRXLK-UHFFFAOYSA-N |
Boiling Point: | 195 °C |
Flash Point: | 113 °C(235.4 °F) |
Purity: | 97 % |
Density: | 1.04 g/cm3 |
Appearance: | Clear colorless to pale yellow liquid |
MDL: | MFCD00004906 |
LogP: | 1.62620 |
Refractive Index: | 1.529 (lit.) |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22107333 | 20111221 | Interstaple dithiol cross-linking in Au25(SR)18 nanomolecules: a combined mass spectrometric and computational study | Journal of the American Chemical Society |
20397655 | 20100615 | 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 |
16853071 | 20050901 | Deposition of gold nanoparticles onto thiol-functionalized multiwalled carbon nanotubes | The journal of physical chemistry. B |
16852952 | 20050818 | Gating of enhanced electron-charging thresholds in self-assembled nanoparticle films | The journal of physical chemistry. B |
11583541 | 20011010 | The RS-.HSR Hydrogen Bond: acidities of alpha,omega-dithiols and electron affinities of their monoradicals | Journal of the American Chemical Society |
Complexity: | 17.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 122.02239267 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 122.02239267 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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