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Propyl sulfone

Propyl sulfone structure

CAS No:
598-03-8
Formula:
C6H14O2S
Chemical Name:
Propyl sulfone
Synonyms:
Propane,1,1′-sulfonylbis-;Propyl sulfone;1,1′-Sulfonylbis[propane];Dipropyl sulfone;Di-n-propyl sulfone;NSC 4865;1-Propylsulfonylpropane;1-(Propane-1-sulfonyl)propane
Categories:
Organic Chemistry > Inorganic Acid Esters

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Description

WHITE TO OFF-WHITE CRYSTALLINE LOW MELTING SOLID

Propyl sulfone Basic Attributes

Molecular Weight：

150.24

Exact Mass：

150.24

EC Number：

209-913-0

UNII：

581DRO3V26

NSC Number：

4865

DSSTox ID：

DTXSID6060501

Characteristics

PSA：

42.52000

XLogP3：

2.30200

Density：

1.109 g/mL at 20 °C(lit.)

Melting Point：

29.5 °C

Boiling Point：

270 °C

Flash Point：

31 °C

Refractive Index：

n20/D 1.413

Vapor Pressure：

0.00 mmHg

Safety Information

Transport codes：

UN 3265 8/PG 2

wgk germany：

hazard class code：

safety instructions：

26-36/37/39-45

Marks：

Precautionary statement(s)：

P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

Absorption：

Following oral administration of (35S)-dipropyl sulfone to male Wistar rats (4.24 mmol/kg body wt), the only radioactive component subsequently found in the blood and bile was the sulfone. Biliary excretion played an important role in the elimination of this compound, with 16% of the dose excreted during the first twenty-four hours and 33% passing through the bile duct over a two day period. Bile/plasma concentration ratios remained constant during the first day (c. 46-fold), suggesting that a concentration process was taking place and that active transport of this low molecular weight compound into the bile was occurring.

MeSH Entry Terms：

dipropyl sulfone

Propyl sulfone Use and Manufacturing

Manufacturing Info：

Propane, 1,1'-sulfonylbis-: INACTIVE

Computed Properties

Molecular Weight:150.24
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:150.07145086
Monoisotopic Mass:150.07145086
Topological Polar Surface Area:42.5
Heavy Atom Count:9
Complexity:129
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 598-03-8

Grade: Pharmaceutical Grade

Content: 99%

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