1,4-Diisothiocyanatobutane

CAS Registry Number®

4430-51-7
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CAS Name

1,4-Diisothiocyanatobutane

Molecular Formula

C6H8N2S2

Molecular Mass

172.27

Cite this Page

1,4-Diisothiocyanatobutane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=4430-51-7 (retrieved 2024-04-29) (CAS RN: 4430-51-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    170 °C @ Press: 11 Torr

  • Density (2)

    1.2107 g/cm³ @ Temp: 21.5 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C6H8N2S2/c9-5-7-3-1-2-4-8-6-10/h1-4H2

InChIKey

InChIKey=RRSISCMPUAGVJN-UHFFFAOYSA-N

SMILES

C(CCN=C=S)CN=C=S

Canonical SMILES

S=C=NCCCCN=C=S

Other Names for this Substance

  • Butane, 1,4-diisothiocyanato-
  • Isothiocyanic acid, tetramethylene ester
  • 1,4-Diisothiocyanatobutane
  • Tetramethylene diisothiocyanate

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