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Substance Name: Heptanoic acid, 7-isopropylthio-
RN: 101913-77-3
InChIKey: NFWKZYBIWDXGQR-UHFFFAOYSA-N

Molecular Formula

  • C10-H20-O2-S

Molecular Weight

  • 204.332
 
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Names and Synonyms

Synonym

  • 7-Isopropylthioheptanoic acid

Systematic Name

  • Heptanoic acid, 7-isopropylthio-

Registry Numbers

CAS Registry Number

  • 101913-77-3

System Generated Number

  • 0101913773

Structure Descriptors

InChI

1S/C10H20O2S/c1-9(2)13-8-6-4-3-5-7-10(11)12/h9H,3-8H2,1-2H3,(H,11,12)

InChIKey

NFWKZYBIWDXGQR-UHFFFAOYSA-N

Smiles

C(CCCCCCSC(C)C)(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#08151,