Cresol Red sodium salt

CAT: 0063-21771676Size: 25 gDry Ice: NoHazardous: No

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CAT#:0063-21771676Size:25 g

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CAS Number

62625-29-0

Chemical Information

Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis(2-methyl-, sodium salt (1:1)

CAS Number	62625-29-0
PubChem CID	23692294
IUPAC Name	sodium 4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenolate
Molecular Formula	C21H17NaO5S
Molecular Weight	404.4
Topological Polar Surface Area	95
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	28
Formal Charge	0
Complexity	650

SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)[O-])C)O.[Na+]

InChI

InChI=1S/C21H18O5S.Na/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26-21;/h3-12,22-23H,1-2H3;/q;+1/p-1

InChIKey

FMKJVYROEYMYFV-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 62625-29-0

CID: 23692294

Formula: C21H17NaO5S

MW: 404.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	404.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	404.06943909
Monoisotopic Mass	404.06943909
Topological Polar Surface Area	95 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	650
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
32608392	Cresol Red
32608392-25g	Cresol Red
12768222-100g	Methyl Red sodium salt (C15H14N3O2·Na)
12768222	Methyl Red sodium salt (C15H14N3O2¬∑Na)
45234408	Phenol Red, sodium salt water soluble
45234408-25g	Phenol Red, sodium salt water soluble
47080913-5g	Penicillin G sodium salt (Benzylpenicillin sodium salt)
47080913-01	Penicillin G sodium salt (Benzylpenicillin sodium salt)
47080913-25g	Penicillin G sodium salt (Benzylpenicillin sodium salt)
32260403-1g	Fast Red B Salt

Catalog	Name
236972-01	Cresol red sodium salt
A2333-01	Cresol Red, Sodium Salt
GT4965-25g	M-Cresol Purple sodium salt
AR-C08427-01	O-Cresol Sulfate Sodium Salt
286855-01	Bromo Cresol Purple Sodium Salt
OR1013719-01	M-Cresol Purple, Sodium Salt
C10610-01	4-Chloro-m-cresol sodium salt
C26225-01	M-Cresol Purple sodium salt (water soluble)
C6371	m-Cresol purple, sodium salt (m-Cresolsulfonphthalein)
811745	Bromo Cresol Green Sodium Salt Solution 0.04%