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Substance Name: 6-Hepten-4-yn-3-ol, 1-(propylthio)-2,3,6-trimethyl-
RN: 77922-38-4
InChIKey: CMSMZGJTFJRLFO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H22-O-S

Molecular Weight

  • 226.382
 
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Names and Synonyms

Synonyms

  • 1-(Propylthio)-2,3,6-trimethyl-6-hepten-4-yn-3-ol
  • 2,5,6-Trimethyl-7-propylthiohept-1-en-3-yn-5-ol
  • BRN 4389528

Systematic Name

  • 6-Hepten-4-yn-3-ol, 1-(propylthio)-2,3,6-trimethyl-

Registry Numbers

CAS Registry Number

  • 77922-38-4

System Generated Number

  • 0077922384

Structure Descriptors

InChI

1S/C13H22OS/c1-6-9-15-10-12(4)13(5,14)8-7-11(2)3/h12,14H,2,6,9-10H2,1,3-5H3

InChIKey

CMSMZGJTFJRLFO-UHFFFAOYSA-N

Smiles

C([C@@]([C@@H](CSCCC)C)(C)O)#CC(C)=C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 471mg/kg (471mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 89, 1986.