1,3-Propanedithiol
Product Information
Molecular Formula
C3H8S2
Molecular Weight
108.23
Description
1,3-Propanedithiol (CAS# 109-80-8) is a dithiol that is a useful reagent in synthetic preparations. It is widely used for protection of carbonyl containing compounds. 1,3-Propanedithiol is also used in the synthesis of aminoalkynyldithianes calcium channel blockers.
Synonyms
propane-1,3-dithiol
IUPAC Name
propane-1,3-dithiol
SMILES
C(CS)CS
InChI
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
Boiling Point
170 °C
Melting Point
-79 °C
Flash Point
61 °C
Purity
99 %
Density
1.078 g/mL at 25 °C (lit.)
Solubility
less than 1 mg/mL at 70 °F
Appearance
Colorless to light yellow to light orange clear liquid
Application
Used as a reagent in the manufacture of thioketals and thioacetals; Used as a flavoring agent.
Refractive Index
1.539 (lit.)
LogP
1.23610
Vapor Pressure
16.3 mmHg at 28 °F ; 22.8 mmHg at 77 °F; 34.6 mmHg at 108 °F
Safety Information
Hazards
H302:
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Harmful if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning
Computed Properties
XLogP3
1.2
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
2
Exact Mass
108.00674260 g/mol
Monoisotopic Mass
108.00674260 g/mol
Topological Polar Surface Area
2Ų
Heavy Atom Count
5
Formal Charge
0
Complexity
12.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-114181417-A | Thermosetting dielectric elastomer film and dielectric driver thereof | 2021-12-06 |
| CN-114031744-A | Diisocyanate carbomethoxycyclohexane composition, modified composition thereof and preparation method | 2021-11-29 |
| CN-113897202-A | Difluoromethyleneoxy liquid crystal compound and synthesis method thereof | 2021-11-17 |
| CN-113861175-A | Hg based on naphthalimide2+Fluorescent probe and preparation method thereof | 2021-11-08 |
| CN-113912073-A | Method for stripping black talc | 2021-11-04 |
| CN-113980238-A | Xylylene diisocyanate composition and preparation method and application thereof | 2021-10-27 |
| CN-113980273-A | Liquid crystal elastomer driver and preparation method thereof | 2021-10-21 |
| CN-114023886-A | Lead sulfide quantum dot/polymer hybrid solar cell and preparation method thereof | 2021-10-12 |
| CN-113854473-A | Method for preparing low-arsenic oyster protein peptide by adsorption of targeting nano silica gel material | 2021-09-30 |
| CN-113736085-A | Photosensitive resin composition for photocuring 3D printing and preparation method and application thereof | 2021-09-29 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 22917918 | 2013-01-15 | A label-free electrochemiluminescence aptasensor for thrombin based on novel assembly strategy of oligonucleotide and luminol functionalized gold nanoparticles | Biosensors & bioelectronics |
| 22957582 | 2012-09-07 | Inelastic tunneling spectroscopy of gold-thiol and gold-thiolate interfaces in molecular junctions: the role of hydrogen | The Journal of chemical physics |
| 22235210 | 2012-01-01 | Mercury toxicity and treatment: a review of the literature | Journal of environmental and public health |
| 22557838 | 2012-01-01 | Cartap hydrochloride poisoning: A clinical experience | Indian journal of critical care medicine : peer-reviewed, official publication of Indian Society of Critical Care Medicine |
| 22107333 | 2011-12-21 | Interstaple dithiol cross-linking in Au25(SR)18 nanomolecules: a combined mass spectrometric and computational study | Journal of the American Chemical Society |
| 21872900 | 2011-11-01 | Partitioning of dissolved organic matter-bound mercury between a hydrophobic surface and polysulfide-rubber polymer | Water research |
| 21067919 | 2010-12-15 | Novel epoxide formation in the reaction of 2-bromo-3-methyl-1,4-naphthoquinone with 1,3-propanedithiol | Bioorganic & medicinal chemistry letters |
| 20608688 | 2010-08-16 | Cross-linking of dithiols by mitomycin C | Chemical research in toxicology |
| 20691057 | 2010-08-06 | Genetic integrity of the human Y chromosome exposed to groundwater arsenic | BMC medical genomics |
| 20590137 | 2010-07-29 | Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies | The journal of physical chemistry. B |
