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Substance Name: Isothiocyanic acid, hexamethylene ester
RN: 5586-70-9
InChIKey: VZZPYUKWXDLMGI-UHFFFAOYSA-N

Molecular Formula

  • C8-H12-N2-S2

Molecular Weight

  • 200.329
 
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Names and Synonyms

Synonyms

  • 1,6-Diisothiocyanatohexane
  • 1,6-Hexanediisothiocyanate
  • 4-04-00-01349 (Beilstein Handbook Reference)
  • BRN 1765297
  • Hexamethylene diisothiocyanate
  • Hexane, 1,6-diisothiocyanato-
  • Isothiocyanic acid, hexamethylene diester
  • NSC 202579

Systematic Name

  • Isothiocyanic acid, hexamethylene ester

Registry Numbers

CAS Registry Number

  • 5586-70-9

System Generated Number

  • 0005586709

Structure Descriptors

InChI

1S/C8H12N2S2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

InChIKey

VZZPYUKWXDLMGI-UHFFFAOYSA-N

Smiles

C(CCCN=C=S)CCN=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08108,