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Substance Name: 2-Mercaptopinane
RN: 23832-18-0
UNII: X21X7U473C
InChIKey: ZPUCQOXKFCVYGL-UHFFFAOYSA-N

Molecular Formula

  • C10-H18-S

Molecular Weight

  • 170.318
 
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Names and Synonyms

Name of Substance

  • 2-Mercaptopinane

Synonyms

  • 2,3 or 10-Mercaptopinane
  • 2,6,6-Trimethylbicyclo(3.1.1)heptane-2-thiol
  • 2-Mercaptopinane
  • 2-Pinanethiol
  • AI3-51347
  • BRN 4952941
  • EINECS 245-900-6
  • FEMA No. 3503
  • NSC 76099
  • Pinane, 2-mercapto-
  • UNII-X21X7U473C

Systematic Names

  • 2,6,6-Trimethylbicyclo(3.1.1)heptane-2-thiol
  • 2-Pinanethiol (6CI,8CI)
  • Bicyclo(3.1.1)heptane-2-thiol, 2,6,6-trimethyl-
  • Pinane, 2-mercapto-

Registry Numbers

CAS Registry Number

  • 23832-18-0

FDA UNII

  • X21X7U473C

System Generated Number

  • 0023832180

Structure Descriptors

InChI

InChI=1S/C10H18S/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3

InChIKey

ZPUCQOXKFCVYGL-UHFFFAOYSA-N

Smiles

CC1(S)CCC2CC1C2(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#00420,