THYMOL BLUE

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NCATS

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

Structure Search

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

Molecular Formula	C27H30O5S
Molecular Weight	466.589
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Title	Date	PubMed

Patents

Patents

Substance Class	Chemical Created by `admin` on `Sat Dec 16 03:46:40 UTC 2023` Edited by `admin` on `Sat Dec 16 03:46:40 UTC 2023`
Record UNII	8YB4804L4M
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

THYMOL BLUE

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 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

THYMOL BLUE

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

ECHA (EC/EINECS)

200-973-3

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

FDA UNII

8YB4804L4M

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

CAS

76-61-9

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

EPA CompTox

DTXSID5058800

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

NSC

11238

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

PUBCHEM

65565

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

PRIMARY

CAS

857495-10-4

Created by admin on Sat Dec 16 03:46:41 UTC 2023 , Edited by admin on Sat Dec 16 03:46:41 UTC 2023

ALTERNATIVE