1,3-Benzenedithiol - CAS 626-04-0
Catalog: |
BB031684 |
Product Name: |
1,3-Benzenedithiol |
CAS: |
626-04-0 |
Synonyms: |
benzene-1,3-dithiol |
IUPAC Name: | benzene-1,3-dithiol |
Description: | 1,3-Benzenedithiol (CAS# 626-04-0) is a useful research chemical. |
Molecular Weight: | 142.24 |
Molecular Formula: | C6H6S2 |
Canonical SMILES: | C1=CC(=CC(=C1)S)S |
InChI: | InChI=1S/C6H6S2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H |
InChI Key: | ZWOASCVFHSYHOB-UHFFFAOYSA-N |
Boiling Point: | 128-129 °C16 mmHg (lit.) |
Melting Point: | 24-25 °C (lit.) |
Flash Point: | >230 °F |
Purity: | > 95.0 % (GC) |
Density: | 1.24 g/cm3 |
Appearance: | White or colorless to light yellow powder to lump to clear liquid |
MDL: | MFCD00004842 |
LogP: | 2.26400 |
Refractive Index: | 1.6625 |
GHS Hazard Statement: | H302 (11.36%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113321971-A | Photo-curing ink and preparation method thereof | 20210413 |
JP-2021080483-A | Complex | 20210304 |
CN-112858415-A | Atomic precision type silver nanocluster adopting near-infrared electrochemiluminescence and preparation method and application thereof | 20210204 |
CN-112707984-A | 4D printing photosensitive resin based on dynamic covalent bond and preparation method thereof | 20210111 |
CN-112661930-A | Xylylene diisocyanate composition and optical resin | 20201127 |
PMID | Publication Date | Title | Journal |
22079805 | 20120501 | Improved sonolytic hydrolysis of peptides in aqueous solution with addition of 1,4-benzenedithiol | Ultrasonics sonochemistry |
22335340 | 20120327 | Large-scale atomistic simulations of environmental effects on the formation and properties of molecular junctions | ACS nano |
22187049 | 20120204 | Freezing the self-assembly process of gold nanocrystals | Chemical communications (Cambridge, England) |
22009656 | 20111201 | Enhanced performance and air stability of 3.2% hybrid solar cells: how the functional polymer and CdTe nanostructure boost the solar cell efficiency | Advanced materials (Deerfield Beach, Fla.) |
21805977 | 20110914 | Benzenedithiol: a broad-range single-channel molecular conductor | Nano letters |
Complexity: | 64.9 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.99109254 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.99109254 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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