CAS 109-80-8 1,3-Propanedithiol - Materials / Alfa Chemistry

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1,3-Propanedithiol

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Catalog Number

ACM109808-1

Product Name

1,3-Propanedithiol

Structure

CAS

109-80-8

Category

Self-Assembly Materials

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

EC Number

203-706-9

Exact Mass

108.0067426

Formal Charge

Heavy Atom Count

MeSH Entry Terms

1,3-propanedithiol

Monoisotopic Mass

108.0067426

Refractive Index

n20/D 1.539(lit.)

Rotatable Bond Count

Storage Conditions

Below +30 °C

Topological Polar Surface Area

2 Å²

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

MSDS

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COA

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Spec Sheet

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