1,5-Pentanedithiol

Inquiry

Molecular Formula:

C5H12S2

Molecular Weight:

136.28

CAS Number:

928-98-3

Catalog Number:

928-98-3

Product Information

Molecular Formula:

C5H12S2

Molecular Weight:

136.28

Description

1,5-Pentanedithiol (CAS# 928-98-3) is a useful research chemical.

Synonyms

pentane-1,5-dithiol

IUPAC Name

pentane-1,5-dithiol

Canonical SMILES

C(CCS)CCS

InChI

InChI=1S/C5H12S2/c6-4-2-1-3-5-7/h6-7H,1-5H2

InChI Key

KMTUBAIXCBHPIZ-UHFFFAOYSA-N

Boiling Point

215-217 °C

Melting Point

-72 °C

Flash Point

95 °C(203.0 °F)

Purity

98+ %

Density

1.016 g/cm³

Appearance

Colourless liquid with a very unpleasant smell

Storage

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Refractive Index

1.519 (lit.)

LogP

2.01630

Safety Information

Hazards

H302+H312+H332:
Harmful if swallowed.
Harmful in contact with skin.
Harmful if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.

Precautionary Statement

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, and P501

Signal Word

Warning

Computed Properties

XLogP3

1.9

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

136.03804273 g/mol

Monoisotopic Mass

136.03804273 g/mol

Topological Polar Surface Area

2Å²

Heavy Atom Count

Formal Charge

Complexity

25.3

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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Volume _(start)

Concentration _(final)

Volume _(final)

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1,5-Pentanedithiol

Product Information

Safety Information

Computed Properties

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