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Details

Stereochemistry ACHIRAL
Molecular Formula C37H44N2O13S
Molecular Weight 756.816
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYLTHYMOL BLUE FREE ACID

SMILES

CC(C)C1=CC(=C(C)C(CN(CC(O)=O)CC(O)=O)=C1O)C2(OS(=O)(=O)C3=C2C=CC=C3)C4=C(C)C(CN(CC(O)=O)CC(O)=O)=C(O)C(=C4)C(C)C

InChI

InChIKey=KIHCHVIVBXSLBU-UHFFFAOYSA-N
InChI=1S/C37H44N2O13S/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47)

HIDE SMILES / InChI

Approval Year

Name Type Language
METHYLTHYMOL BLUE FREE ACID
Common Name English
METHYLTHYMOL BLUE ACID FORM
Common Name English
METHYLTHYMOL BLUE [MI]
Common Name English
GLYCINE, N,N'-((1,1-DIOXIDO-3H-2,1-BENZOXATHIOL-3-YLIDENE)BIS((6-HYDROXY-2-METHYL-5-(1-METHYLETHYL)-3,1-PHENYLENE)METHYLENE))BIS(N-(CARBOXYMETHYL)-
Systematic Name English
THYMOLPHTHALEXON S
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30862794
Created by admin on Sat Dec 16 09:21:50 GMT 2023 , Edited by admin on Sat Dec 16 09:21:50 GMT 2023
PRIMARY
MERCK INDEX
m7472
Created by admin on Sat Dec 16 09:21:50 GMT 2023 , Edited by admin on Sat Dec 16 09:21:50 GMT 2023
PRIMARY Merck Index
CAS
3778-22-1
Created by admin on Sat Dec 16 09:21:50 GMT 2023 , Edited by admin on Sat Dec 16 09:21:50 GMT 2023
PRIMARY
PUBCHEM
73038
Created by admin on Sat Dec 16 09:21:50 GMT 2023 , Edited by admin on Sat Dec 16 09:21:50 GMT 2023
PRIMARY
FDA UNII
5FIM5R8VJ6
Created by admin on Sat Dec 16 09:21:50 GMT 2023 , Edited by admin on Sat Dec 16 09:21:50 GMT 2023
PRIMARY