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Thiencarbazone-methyl

Thiencarbazone-methyl structure

CAS No:
317815-83-1
Formula:
C12H14N4O7S2
Chemical Name:
Thiencarbazone-methyl
Synonyms:
3-Thiophenecarboxylic acid,4-[[[(4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl]amino]sulfonyl]-5-methyl-,methyl ester;Thiencarbazone-methyl
Categories:
Analytical Chemistry > Standard

Description

Thiencarbazone-methyl is an N-sulfonylurea in which the sulfur atom is attached to a 4-(methoxycarbonyl)-2-methylthiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 3-methoxy-4-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl group. It is a herbicide used for the selective control of grasses and broadleaf weeds primarily in corn. It has a role as an EC 2.2.1.6 (acetolactate synthase) inhibitor, a herbicide and an agrochemical. It is a member of thiophenes, a methyl ester, a member of triazoles, a N-sulfonylurea and an ether. It derives from a thiencarbazone.

Thiencarbazone-methyl Basic Attributes

Molecular Weight：

390.39216

Exact Mass：

390.39

UNII：

1MX00PIM4H

DSSTox ID：

DTXSID0058275

HScode：

29350090

Characteristics

PSA：

171

XLogP3：

-0.90

Density：

1.7±0.1 g/cm3

Melting Point：

205°C

Refractive Index：

1.678

Water Solubility：

Solubility in water (at 20 °C) : 72 mg/l (unbuffered) 172 mg/l (pH 4) 436 mg/l (pH 7) 417 mg/l (pH 9)

Safety Information

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273

Hazard Statements：

H400

GHS Classification：

|Warning|H400 (75.56%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 135 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Thiencarbazone-methyl Use and Manufacturing

Use Classification：

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

Agrochemical：

Thiencarbazone-methyl has known environmental transformation products that include 3-thiophene carboxylic acid, 4((((4,5-dihydro-3-methoxy-4-methyl-5-oxo-1H-1,2,4-triazol-1-yl)carbonyl)amino)sulfonyl)-5-methyl-, 3-thiophenecarboxylic acid, 4-(aminosulfonyl)-5-methyl-, methyl ester, 3H-1,2,4-triazol-3-one, 2,4-dihydro-5-methoxy-4-methyl-, and 4-(aminosulfonyl)-5-methyl-3-thiophenecarboxylic acid.|Thiencarbazone-methyl has known environmental transformation products that include BYH 18636-carboxylic acid, BYH 18636-sulfonamide, MMT, Sulfonamide-carboxylic acid, Thieno-saccharine, and Triazolinone-carboxamide.

Computed Properties

Molecular Weight:390.4
XLogP3:1.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:390.03039115
Monoisotopic Mass:390.03039115
Topological Polar Surface Area:171
Heavy Atom Count:25
Complexity:718
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes