Policresulen Impurity 6

CAT: 1299-RM-P150906-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P150906-01Size:10 mg

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CAS Number

3233-58-7

Synonyms

P-Cresol sulfate; p-tolyl hydrogen sulfate

Molecular Formula

C7H8O4S

Molecular Weight

188.2

Target Alternative Name

Policresulen

Product Name Synonym

P-Cresol sulfate; p-tolyl hydrogen sulfate

Chemical Information

P-Cresol sulfate

P-cresol sulfate is an aryl sulfate that is p-cresol in which the phenolic hydrogen has been replaced by a sulfo group. It has a role as a uremic toxin, a human metabolite and a gut flora metabolite. It is functionally related to a p-cresol. It is a conjugate acid of a p-cresol sulfate(1-).

CAS Number	3233-58-7
PubChem CID	4615423
IUPAC Name	(4-methylphenyl) hydrogen sulfate
Molecular Formula	C7H8O4S
Molecular Weight	188.20
XLogP	1.3
Topological Polar Surface Area	72
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	220

SMILES

CC1=CC=C(C=C1)OS(=O)(=O)O

InChI

InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)

InChIKey

WGNAKZGUSRVWRH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3233-58-7

CID: 4615423

Formula: C7H8O4S

MW: 188.20

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.20
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	188.01432991
Monoisotopic Mass	188.01432991
Topological Polar Surface Area	72 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	220
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

Related Products

Catalog	Name
RG-A131301-01	Policresulen Impurity A
RM-P150907-01	Policresulen Impurity 7
RM-P150904-01	Policresulen Impurity 4
RM-P150908-01	Policresulen Impurity 8
RM-P150910-01	Policresulen Impurity 10
RM-P150909-01	Policresulen Impurity 9
RM-P150903-01	Policresulen Impurity 3
RM-P150905-01	Policresulen Impurity 5
RM-P150902-01	Policresulen Impurity 2
RM-P150901-01	Policresulen Impurity 1

Alternative Products

Catalog	Name
AR-P32048-01	Policresulen Impurity 6
AR-P32042-01	Policresulen Impurity 7
AR-P29679-01	Policresulen Dimer Impurity
AR-P32045-01	Policresulen Impurity 8 Diammonium Salt
AR-P32046-01	Policresulen Impurity 3 Disodium Salt
AR-P32043-01	Policresulen Impurity 9 Ammonium Salt
AR-P32047-01	Policresulen Impurity 5 Ammonium Salt (m-Cresol-4-Sulfonic Acid Ammonium Salt)
HY-W129596-01	Policresulen
AR-P33707-01	Policresulen Dimer
FP41112-01	Policresulen - 50% aqueous

Policresulen Impurity 6

Chemical Information

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