Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Thio-alpha-tocopherol
RN: 133869-30-4
InChIKey: PHDCNCCBUMXPPQ-CEFNRUSXSA-N

Molecular Formula

  • C31-H52-O2-S

Molecular Weight

  • 488.816
 
* 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

Name of Substance

  • 1-Thio-alpha-tocopherol

Systematic Name

  • 2H-1-Benzothiopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate, (2R*(4R*,8R*))-(+-)-

Registry Numbers

CAS Registry Number

  • 133869-30-4

System Generated Number

  • 0133869304

Structure Descriptors

InChI

1S/C31H52O2S/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1

InChIKey

PHDCNCCBUMXPPQ-CEFNRUSXSA-N

Smiles

C1[C@](Sc2c(C1)c(c(c(c2C)C)OC(C)=O)C)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C