U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C14H22OS
Molecular Weight 238.389
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,6-Di-tert-butyl-4-mercaptophenol

SMILES

CC(C)(C)C1=CC(S)=CC(=C1O)C(C)(C)C

InChI

InChIKey=NFVMNXZFSKGLDR-UHFFFAOYSA-N
InChI=1S/C14H22OS/c1-13(2,3)10-7-9(16)8-11(12(10)15)14(4,5)6/h7-8,15-16H,1-6H3

HIDE SMILES / InChI

Molecular Formula C14H22OS
Molecular Weight 238.389
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:16:59 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:59 GMT 2023
Record UNII
ZT9Q8D3AMB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,6-Di-tert-butyl-4-mercaptophenol
Systematic Name English
2,6-Bis(1,1-dimethylethyl)-4-mercaptophenol
Systematic Name English
Phenol, 2,6-bis(1,1-dimethylethyl)-4-mercapto-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00241719
Created by admin on Sat Dec 16 12:16:59 GMT 2023 , Edited by admin on Sat Dec 16 12:16:59 GMT 2023
PRIMARY
PUBCHEM
70370
Created by admin on Sat Dec 16 12:16:59 GMT 2023 , Edited by admin on Sat Dec 16 12:16:59 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-451-5
Created by admin on Sat Dec 16 12:16:59 GMT 2023 , Edited by admin on Sat Dec 16 12:16:59 GMT 2023
PRIMARY
CAS
950-59-4
Created by admin on Sat Dec 16 12:16:59 GMT 2023 , Edited by admin on Sat Dec 16 12:16:59 GMT 2023
PRIMARY
FDA UNII
ZT9Q8D3AMB
Created by admin on Sat Dec 16 12:16:59 GMT 2023 , Edited by admin on Sat Dec 16 12:16:59 GMT 2023
PRIMARY