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Fenpyrazamine

Fenpyrazamine structure

CAS No:
473798-59-3
Formula:
C17H21N3O2S
Chemical Name:
Fenpyrazamine
Synonyms:
1H-Pyrazole-1-carbothioic acid,5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-,S-2-propen-1-yl ester;1H-Pyrazole-1-carbothioic acid,5-amino-2,3-dihydro-2-(1-methylethyl)-4-(2-methylphenyl)-3-oxo-,S-2-propenyl ester;1-[(2-Propenylthio)carbonyl]-2-(1-methylethyl)-4-(2-methylphenyl)-5-amino-1H-pyrazol-3-one;Fenpyrazamine;S 2188 (herbicide);S 2188;Anbenbijuntong;Anbenpijuntong;1234703-81-1

Description

Fenpyrazamine is a pyrazolone that is pyazol-3-one which is substituted at positions 2, 4, and 5 by isopropyl, o-methylphenyl, and amino groups, respectively, and in which the hydrogen attached to the nitrogen at position 1 is replaced by an S-allyl carbothioate moiety. A fungicide, it is used for the control of Botrytis in the greenhouse cultivation of tomatoes, peppers, and cucumbers. It has a role as a sterol biosynthesis inhibitor and an antifungal agrochemical. It is a pyrazolone, a thioester and a primary amino compound.

Fenpyrazamine Basic Attributes

Molecular Weight：

331.43254

Exact Mass：

331.43

UNII：

2N3SPH9RQG

DSSTox ID：

DTXSID2074742

Characteristics

PSA：

95.32000

XLogP3：

2.73

Density：

1.2±0.1 g/cm3

Boiling Point：

453.0±55.0 °C at 760 mmHg

Flash Point：

227.8±31.5 °C

Refractive Index：

1.609

Safety Information

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

GHS Classification：

|Warning|H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|H302 (26.61%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P391, and P501|Aggregated GHS information provided by 124 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Fenpyrazamine Use and Manufacturing

Use Classification：

Agrochemicals -> Fungicides|Fungicides|Environmental transformation -> Pesticides (parent, predecessor)

Agrochemical：

Fenpyrazamine has known environmental transformation products that include S-2188-DC and S-2188-OH.

Computed Properties

Molecular Weight:331.4
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:331.13544809
Monoisotopic Mass:331.13544809
Topological Polar Surface Area:91.9
Heavy Atom Count:23
Complexity:530
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes