2-(Thiocyanomethylthio)benzothiazole

CAS Registry Number®

21564-17-0
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CAS Name

2-(Thiocyanomethylthio)benzothiazole

Molecular Formula

C9H6N2S3

Molecular Mass

238.35

Cite this Page

2-(Thiocyanomethylthio)benzothiazole.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21564-17-0 (retrieved 2024-04-26) (CAS RN: 21564-17-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    >120 °C

  • Melting Point (1)

    <-10 °C

  • Density (1)

    1.4 g/cm³

Source(s)

  • (1) International Chemical Safety Cards data were obtained from the National Institute for Occupational Safety and Health (US)

Other Names and Identifiers

InChI

InChI=1S/C9H6N2S3/c10-5-12-6-13-9-11-7-3-1-2-4-8(7)14-9/h1-4H,6H2

InChIKey

InChIKey=TUBQDCKAWGHZPF-UHFFFAOYSA-N

SMILES

S(CSC#N)C1=NC=2C(S1)=CC=CC2

Canonical SMILES

N#CSCSC1=NC=2C=CC=CC2S1

Other Names for this Substance

  • Thiocyanic acid, (2-benzothiazolylthio)methyl ester
  • 2-[(Thiocyanatomethyl)thio]benzothiazole
  • Busan 72
  • 2-(Thiocyanomethylthio)benzothiazole
  • Busan 15

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Deleted or Replaced CAS Registry Numbers

120946-97-6, 6441-45-8, 56532-60-6, 56996-45-3, 64441-45-8, 64441-44-7

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