CAS 1191-08-8 1,4-Butanedithiol - Materials / Alfa Chemistry

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1,4-Butanedithiol

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Catalog Number

ACM1191088

CAS Number

1191-08-8

Product Name

1,4-Butanedithiol

Structure

Category

Self-Assembly Materials; Monomers

Synonyms

1,4-Dibutyl mercaptan

IUPAC Name

Butane-1,4-dithiol

Molecular Weight

122.3

Molecular Formula

C4H10S2

Canonical SMILES

C(CCS)CS

InChI

InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2

InChI Key

SMTOKHQOVJRXLK-UHFFFAOYSA-N

Boiling Point

105-106 °C

Melting Point

-53.9 °C

Flash Point

>230 °F

Purity

95%+

Density

1.042 g/mL at 25 °C(lit.)

Complexity

17.5

Covalently-Bonded Unit Count

EC Number

214-728-3

Exact Mass

122.02239267

Formal Charge

Heavy Atom Count

Monoisotopic Mass

122.02239267

NSC Number

60198

Refractive Index

n20/D 1.529(lit.)

Rotatable Bond Count

Topological Polar Surface Area

2 Å²

UNII

7JD227IUMC

XLogP3

1.5

MSDS

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COA

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Spec Sheet

Download Spec Sheet

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