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Probenazole

Probenazole structure

CAS No:
27605-76-1
Formula:
C10H9NO3S
Chemical Name:
Probenazole
Synonyms:
1,2-Benzisothiazole,3-(2-propen-1-yloxy)-,1,1-dioxide;1,2-Benzisothiazole,3-(allyloxy)-,1,1-dioxide;1,2-Benzisothiazole,3-(2-propenyloxy)-,1,1-dioxide;Oryzaemate;3-Allyloxy-1,2-benzisothiazole 1,1-dioxide;Probenazole;PO 20;3-Allyloxy-1,2-benzisothiazol-1,1-dioxide;Oryzemate;PO 20 (pharmaceutical);3-Allyloxy-1,2-benzisothiazole-1,1-oxide;37184-58-0;1135442-69-1
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

Description

Probenazole is a member of the class of 1,2-benzothiazoles that is 1,2-benzothiazole 1,1-dioxide substituted at position 3 by an allyloxy group. A fungicide used to control rice blast. It has a role as a plant activator and an antifungal agrochemical. It is a 1,2-benzisothiazole, an aromatic ether, a sulfone and a benzothiazole fungicide. It derives from a saccharin.

Probenazole Basic Attributes

Molecular Weight：

223.24800

Exact Mass：

223.25

EC Number：

608-113-2

DSSTox ID：

DTXSID7058048

HScode：

2934200013

Characteristics

PSA：

64.11000

XLogP3：

1.85450

Density：

1.33g/cm3

Melting Point：

138.5 °C

Boiling Point：

369ºC at 760mmHg

Flash Point：

177ºC

Refractive Index：

1.604

Water Solubility：

6.72e-04 M

Storage Conditions：

0-6ºC

Vapor Pressure：

2.6E-05mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3276

wgk germany：

hazard class code：

R22; R20/21/22; R36/37/38

safety instructions：

S36/37; S36; S26

Marks：

Xn; Xi

GHS Classification：

|Danger|H302: Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P261, P264, P270, P271, P272, P273, P280, P281, P301+P312, P302+P352, P304+P340, P305+P351+P338, P307+P311, P308+P313, P310, P312, P314, P321, P330, P333+P313, P363, P391, P403+P233, P405, and P501

Drug Information

MeSH Entry Terms：

3-allyloxy-1,2-benzoisothiazole-1,1-dioxide

Probenazole Use and Manufacturing

Use Classification：

Agrochemicals -> Bactericides, Fungicides

Computed Properties

Molecular Weight:223.25
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:223.03031432
Monoisotopic Mass:223.03031432
Topological Polar Surface Area:64.1
Heavy Atom Count:15
Complexity:380
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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