2-Isothiocyanato-2,4,4-trimethylpentane

CAS Registry Number®

17701-76-7
No image available.

CAS Name

2-Isothiocyanato-2,4,4-trimethylpentane

Molecular Formula

C9H17NS

Molecular Mass

171.30

Cite this Page

2-Isothiocyanato-2,4,4-trimethylpentane.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=17701-76-7 (retrieved 2024-08-04) (CAS RN: 17701-76-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    91-97 °C @ Press: 10 Torr

  • Density (1)

    0.91 g/cm³ @ Temp: 25 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C9H17NS/c1-8(2,3)6-9(4,5)10-7-11/h6H2,1-5H3

InChIKey

InChIKey=KUGHMFIBHMZICO-UHFFFAOYSA-N

SMILES

C(C(N=C=S)(C)C)C(C)(C)C

Canonical SMILES

S=C=NC(C)(C)CC(C)(C)C

Other Names for this Substance

  • Pentane, 2-isothiocyanato-2,4,4-trimethyl-
  • Isothiocyanic acid, 1,1,3,3-tetramethylbutyl ester
  • 2-Isothiocyanato-2,4,4-trimethylpentane
  • 2-(Isothiocyanato)-2,4,4-trimethylpentane
  • NSC 65473