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6-Hydroxy-1,3-benzoxathiol-2-one

6-Hydroxy-1,3-benzoxathiol-2-one structure

CAS No:
4991-65-5
Formula:
C7H4O3S
Chemical Name:
6-Hydroxy-1,3-benzoxathiol-2-one
Synonyms:
1,3-Benzoxathiol-2-one,6-hydroxy-;6-Hydroxy-1,3-benzoxathiol-2-one;6-Hydroxy-2-oxo-1,3-benzoxathiole;6-Hydroxy-2-oxobenzoxathiole;Acnosan;Camyna;OL 110;Stepin;Thidoxol;Thioxolon;Tioxolon;Thioxolone;Acnosan (antiseborrheic);Tioxolone;6-Hydroxybenz[d]oxathiol-2-one;6-(Hydroxy)benzo[d][1,3]oxathiol-2-one
Categories:
Cosmetic Ingredient > Astringent

Description

Tioxolone, a metalloenzyme carbonic anhydrase I inhibitor, is an anti-acne preparation.Target: Carbonic Anhydrase Tioxolone is a metalloenzyme carbonic anhydrase I inhibitor with a Ki of 91 nM. Tioxolone lacks sulfonamide, sulfamate, or hydroxamate functional groups that are typically found in therapeutic carbonic anhydrase (CA) inhibitors, such as acetazolamide. Tioxolone is proposed to be a prodrug inhibitor that is cleaved via a CA II zinc-hydroxide mechanism known to catalyze the hyd

Tioxolone is a 1,3-benzoxathiole having a hydroxy substituent at the 6-position. It has a role as an antiseborrheic.

6-Hydroxy-1,3-benzoxathiol-2-one Basic Attributes

Molecular Weight：

168.17

Exact Mass：

168.17

EC Number：

225-653-0

UNII：

S0FAJ1R9CD

NSC Number：

758240

DSSTox ID：

DTXSID5045885

ATC Code：

D - Dermatologicals

HScode：

2930909090

Characteristics

PSA：

71.8

XLogP3：

1.9

Appearance：

light yellow to beige powder

Density：

1.6±0.1 g/cm3

Melting Point：

160 °C

Boiling Point：

377.8°C at 760 mmHg

Flash Point：

182.3±28.4 °C

Refractive Index：

1.718

Water Solubility：

95% ethanol: soluble 50mg/mL, clear to very slightly hazy, colorless to yellow

Storage Conditions：

Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Collision Cross Section：

130.2 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

RTECS Number：

DM2953750

Marks：

Xn,Xi

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H302-H315-H319-H335

GHS Classification：

|Warning|H302 (97.62%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

6-hydroxy-1,3(2H)-benzoxathiol-2-one

6-Hydroxy-1,3-benzoxathiol-2-one Use and Manufacturing

Uses

antiseborrhoic

Use Classification：

Cosmetics -> Astringent

Computed Properties

Molecular Weight:168.17
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:167.98811516
Monoisotopic Mass:167.98811516
Topological Polar Surface Area:71.8
Heavy Atom Count:11
Complexity:183
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 4991-65-5

Grade: Pharmaceutical Grade

Content: 99.9%

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Guide of 6-Hydroxy-1,3-benzoxathiol-2-one

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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6-Hydroxy-1,3-benzoxathiol-2-one

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