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Monoacetyldapsone

Monoacetyldapsone structure

CAS No:
565-20-8
Formula:
C14H14N2O3S
Chemical Name:
Monoacetyldapsone
Synonyms:
Acetamide,N-[4-[(4-aminophenyl)sulfonyl]phenyl]-;Acetanilide,4′-sulfanilyl-;N-[4-[(4-Aminophenyl)sulfonyl]phenyl]acetamide;4′-Sulfanilylacetanilide;Monoacetyldapsone;4-Amino-4′-acetamidodiphenyl sulfone;Acetyldapsone;4-Acetylamino-4′-aminodiphenyl sulfone;4-Acetamido-4′-aminodiphenyl sulfone;4-Acetamidophenyl 4′-aminophenyl sulfone;4-Acetylamino-4′-aminophenyl sulfone;N-Acetyldapsone;MADDS;NSC 27184
Categories:
Chemical Reagents > Organic Reagents

Description

Off-White Solid

Monoacetyldapsone is a secondary carboxamide resulting from acetylation of one of the amino groups of dapsone. It is a sulfone, an anilide, a secondary carboxamide and a member of acetamides. It derives from a dapsone.

Monoacetyldapsone Basic Attributes

Molecular Weight：

290.34

Exact Mass：

290.34

UNII：

A4YKS8ULCN

NSC Number：

27184

DSSTox ID：

DTXSID70205040

Characteristics

PSA：

97.64000

XLogP3：

3.79500

Appearance：

white

Density：

1.362g/cm3

Melting Point：

242-243 °C

Boiling Point：

589.5ºC at 760mmHg

Flash Point：

310.3ºC

Refractive Index：

1.641

Storage Conditions：

2-8°C

Collision Cross Section：

171.85 Å² [M-H]-

Safety Information

wgk germany：

hazard class code：

37/38-41-43

safety instructions：

26-36/37/39

RTECS Number：

AE7020000

Marks：

Precautionary statement(s)：

P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

|Danger|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P333+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)

Metabolism/Metabolites：

Monoacetyldapsone is a known human metabolite of dapsone.

MeSH Entry Terms：

4-acetamido-phenyl-4'-aminophenyl sulfone

Monoacetyldapsone Use and Manufacturing

A metabolite of Dapsone (D193250).

Computed Properties

Molecular Weight:290.34
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:290.07251349
Monoisotopic Mass:290.07251349
Topological Polar Surface Area:97.6
Heavy Atom Count:20
Complexity:428
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes