Thifensulfuron

HCID 91729CAS 79277-67-1
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccsc2C(=O)O)n1
InChIKey
LOQQVLXUKHKNIA-UHFFFAOYSA-N
분자식
C11H11N5O6S2
평균 분자량
373.4 g/mol
단동위원소 질량
373.01507507

개요

Thifensulfuron is an N-sulfonylurea in which the sulfur atom is attached to a 2-carboxythiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. The corresponding methyl ester, known as thifensulfuron-methyl, is used as a post-emergence herbicide for the control of grass and broad-leaved weeds. It has a role as a herbicide and an agrochemical. It is a member of 1,3,5-triazines, a thiophenecarboxylic acid and a N-sulfonylurea.

이름 및 식별자

우선 이름
Thifensulfuron
IUPAC
3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid
영어명
Thifensulfuron
분자식
C11H11N5O6S2
분자량
373.36

이름 및 동의어

Thifensulfuron79277-67-1thiameturonThifensulfuron [ISO]thifensulfuron acidUNII-R1O5RY2GKCR1O5RY2GKCDTXSID1058185CHEBI:1320533-(4-methoxy-6-methyl-1,3,5-triazin-2-ylcarbamoylsulfamoyl)thiophene-2-carboxylic acid3-{[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl}thiophene-2-carboxylic acid3-(((4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid
이름 더 보기
DPX-6316Thifensulfuron-methyl suspensionThifensulfuron Solution in Acetonitrile, 100μg/mL3-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]-2-thenoic acid3-[[(4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]sulfamoyl]thiophene-2-carboxylic acid3-(N-((6-methoxy-4-methyl-1,3,5-triazin-2(1H)-ylidene)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid
RefChem:189393DTXCID7031953Thifensulfuron (free acid)79227-67-13-(N-((4-Methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl)sulfamoyl)thiophene-2-carboxylic acid3-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-3-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-2-thiophenecarboxylic acid

데이터베이스 식별자

CAS
79277-67-1
PubChem CID
91729
DTXSID
DTXSID1058185
ChEBI
CHEBI:132053
UNII
R1O5RY2GKC
EC Number
616-675-5
Nikkaji
J372.961C

물성

구조 계산 물성

XLogP
1.2
극성 표면적
197 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
5
무거운 원자 수
24

실험 및 물리화학적 성질

PesticidesEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

물리화학적 성질

밀도
1.674 · 1.674±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C(protect from light)
용해도
DMSO(약간 용해됨), 메탄올(약간 용해됨, 가열)
산도 계수 (pKa)
2.36 · 2.36±0.10(Predicted)
물리적 상태
고체
색상
흰색에서 황백색까지

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

P264+P265, P273, P280, P305+P351+P338, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 29 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Hazard Classes and CategoriesEye Irrit. 2 (100%)

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H319

화학 및 산업

용도 및 제조

Use ClassificationEnvironmental transformation -> Pesticide transformation products (metabolite, successor)

상·하류 제품 정보

상류 원료

공급사43 곳

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
추가 설명 · 1건

정의ChEBI: An N-sulfonylurea in which the sulfur atom is attached to a 2-carboxythiophen-3-yl group and in which the non-sulfonated nitrogen is substituted by a 4-methoxy-6-methyl-1,3,5-triazin-2-yl group. The corresponding methyl ester, known as t ifensulfuron-methyl, is used as a post-emergence herbicide for the control of grass and broad-leaved weeds.

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