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Details

Stereochemistry ACHIRAL
Molecular Formula C27H30O5S
Molecular Weight 466.589
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THYMOL BLUE

SMILES

CC(C)C1=C(O)C=C(C)C(=C1)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=CC(C(C)C)=C(O)C=C4C

InChI

InChIKey=PRZSXZWFJHEZBJ-UHFFFAOYSA-N
InChI=1S/C27H30O5S/c1-15(2)19-13-22(17(5)11-24(19)28)27(21-9-7-8-10-26(21)33(30,31)32-27)23-14-20(16(3)4)25(29)12-18(23)6/h7-16,28-29H,1-6H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Rational quantitative structure-activity relationship (RQSAR) screen for PXR and CAR isoform-specific nuclear receptor ligands.
2010 Dec 5
Patents
Name Type Language
THYMOL BLUE
MI  
Common Name English
4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)PHENOL) S,S-DIOXIDE
Common Name English
NSC-11238
Code English
THYMOL BLUE [MI]
Common Name English
THYMOLSULFONEPHTHALEIN
Common Name English
PHENOL, 4,4'-(3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)-, S,S-DIOXIDE
Systematic Name English
THYMOLSULFOPHTHALEIN
Common Name English
PHENOL, 4,4'-(1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS(5-METHYL-2-(1-METHYLETHYL)-
Systematic Name English
Code System Code Type Description
MERCK INDEX
m10825
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY Merck Index
WIKIPEDIA
THYMOL BLUE
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
200-973-3
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
FDA UNII
8YB4804L4M
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
CAS
76-61-9
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID5058800
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
NSC
11238
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
PUBCHEM
65565
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
PRIMARY
CAS
857495-10-4
Created by admin on Sat Dec 16 03:46:41 GMT 2023 , Edited by admin on Sat Dec 16 03:46:41 GMT 2023
ALTERNATIVE