Thymol sulfate potassium

CAT: 0926-XGA26590Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-XGA26590Size:1 g

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CAS Number

172265-90-6

Smiles

CC1=CC=C ([C-]=C1) C (C) C.OS (=O) (=O) O.[K+]

Molecular Formula

C10H14O4S•K

Molecular Weight

269.38 g/mol

Controlled

Chemical Information

Thymol Sulfate Potassium Salt

CAS Number	172265-90-6
PubChem CID	71669796
IUPAC Name	potassium (5-methyl-2-propan-2-ylphenyl) sulfate
Molecular Formula	C10H13KO4S
Molecular Weight	268.37
Topological Polar Surface Area	74.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	296

SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C10H14O4S.K/c1-7(2)9-5-4-8(3)6-10(9)14-15(11,12)13;/h4-7H,1-3H3,(H,11,12,13);/q;+1/p-1

InChIKey

LSWDPFMSOKRHJG-UHFFFAOYSA-M

Chemical Structure

2D Structure

CAS: 172265-90-6

CID: 71669796

Formula: C10H13KO4S

MW: 268.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	268.37
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	268.01716155
Monoisotopic Mass	268.01716155
Topological Polar Surface Area	74.8 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	296
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FP40347-01	Potassium sulfate
BAA73388	Potassium Phenyl Sulfate
NBA53341	Potassium 4-acetylphenyl sulfate
MS44370-01	Glucosamine sulfate potassium salt
FC41538-01	Chromium potassium sulfate dodecahydrate
BBA18260-01	Poly (vinyl sulfate) potassium
YD31035-01	Dextran sulfate potassium salt
FC148002-01	Cholesteryl sulfate potassium salt
FT47158-01	Thymol
EM15697-01	4-Methylumbelliferyl sulfate potassium salt

Catalog	Name
T413075	Thymol Sulfate Potassium Salt
GK5956-5kg	Potassium sulfate
sc-506292	Potassium Sulfate (Sulfate of Potash)
PB0782	Potassium sulfate, anhydrous
165999	Potassium Peroxymonosulfate Sulfate
RM-E050803-01	Potassium Estrone Sulfate
LC-7231.2	Potassium sulfate pure
LC-4127.1	Potassium sulfate p.A.
GK6425-250g	Potassium hydrogen sulfate