Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Isothiocyanic acid, s-phenenyl ester
RN: 101670-67-1
InChIKey: LLJPDGVAIMDGFS-UHFFFAOYSA-N

Molecular Formula

  • C9-H3-N3-S3

Molecular Weight

  • 249.342
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • 3-13-00-00555 (Beilstein Handbook Reference)
  • BRN 3293763
  • Isothiocyanic acid, s-phenenyl triester

Systematic Name

  • Isothiocyanic acid, s-phenenyl ester

Registry Numbers

CAS Registry Number

  • 101670-67-1

System Generated Number

  • 0101670671

Structure Descriptors

InChI

1S/C9H3N3S3/c13-4-10-7-1-8(11-5-14)3-9(2-7)12-6-15/h1-3H

InChIKey

LLJPDGVAIMDGFS-UHFFFAOYSA-N

Smiles

c1(cc(cc(c1)N=C=S)N=C=S)N=C=S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 5600ug/kg (5.6mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08224,