Cresol Red

CAT: 0862-GT0793-25gSize: 25 gDry Ice: NoHazardous: No

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CAT#:0862-GT0793-25gSize:25 g

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CAS Number

1733-12-6

EC Number

217-064-2

MDL Number

MFCD00005878

HS Code

29349990

Molecular Formula

C21H18O5S

Molecular Weight

382.44

Storage Conditions

+20°C

Hazardous Class

Not hazardous

Chemical Information

Cresol Red

Cresol red is a member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 4-hydroxy-5-methylphenyl groups. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.

CAS Number	1733-12-6
PubChem CID	73013
IUPAC Name	4-[3-(4-hydroxy-3-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-2-methylphenol
Molecular Formula	C21H18O5S
Molecular Weight	382.4
XLogP	3.7
Topological Polar Surface Area	92.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	27
Formal Charge	0
Complexity	615

SMILES

CC1=C(C=CC(=C1)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C=C4)O)C)O

InChI

InChI=1S/C21H18O5S/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

InChIKey

OBRMNDMBJQTZHV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1733-12-6

CID: 73013

Formula: C21H18O5S

MW: 382.4

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	382.4
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	382.08749484
Monoisotopic Mass	382.08749484
Topological Polar Surface Area	92.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	615
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
M19480	Cresol
468088-01	Tricresyl Phosphate (Mixture of Isomers: o-cresol, m-cresol, p-cresol)
CS-O-05550	M-Cresol
T5304-01	P-Cresol
MBS3842529-01	o-Cresol
32608392	Cresol Red
sc-256805	4-Cresol

Cresol Red

Chemical Information

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