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1,3-Propanedithiol

Catalog Number
ACM109808-1
CAS Number
109-80-8
Product Name
1,3-Propanedithiol
Structure
Category
Self-Assembly Materials; Monomers
Synonyms
1,3-Dimercaptopropane
Description
1,3-dimercaptopropane is a clear orange oil with a disagreeable odor. (NTP, 1992);Liquid;Liquid;liquid with odour of sulfur or meat
IUPAC Name
Propane-1,3-dithiol
Molecular Weight
108.23
Molecular Formula
C3H8S2
Canonical SMILES
C(CS)CS
InChI
InChI=1S/C3H8S2/c4-2-1-3-5/h4-5H,1-3H2
InChI Key
ZJLMKPKYJBQJNH-UHFFFAOYSA-N
Boiling Point
169 °C
Melting Point
-79 °C
Flash Point
138 °F
Purity
95%+
Density
1.078 g/mL at 25 °C(lit.)
Solubility
Insoluble in water; miscible in fats
Complexity
12.4
Covalently-Bonded Unit Count
1
EC Number
203-706-9
Exact Mass
108.0067426
Formal Charge
0
Heavy Atom Count
5
MeSH Entry Terms
1,3-propanedithiol
Monoisotopic Mass
108.0067426
Refractive Index
n20/D 1.539(lit.)
Rotatable Bond Count
2
Storage Conditions
Below +30 °C
Topological Polar Surface Area
2 Ų
UNII
R4LUJ82U52
UN Number
3336
Vapor Pressure
16.3 mm Hg at 28 °F ; 22.8 mm Hg at 77° F; 34.6 mm Hg at 108° F (NTP, 1992)
XLogP3
1.2
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