기본 정보
- CAS
173980-17-1- 표준 SMILES
CCS(=O)(=O)Nc1cc(-n2nc(C(F)(F)F)n(C)c2=O)c(F)cc1C(N)=S- InChIKey
LVKBXDHACCFCTA-UHFFFAOYSA-N- 분자식
- C13H13F4N5O3S2
- 평균 분자량
- 427.4 g/mol
- 단동위원소 질량
- 427.03959429
개요
Bencarbazone is a thiocarboxamide that is benzenecarbothioamide substituted by a fluoro, 4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl, and (ethanesulfonyl)nitrilo groups at positions 3,4 and 6, respectively. It is a herbicide used for the post-emergent control of broad-leaved weeds in corn, cereals, and sugar cane. It has a role as a herbicide, an agrochemical and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is a sulfonamide, a member of triazoles, a thiocarboxamide and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Bencarbazone
- IUPAC
- 2-(ethylsulfonylamino)-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenecarbothioamide
- 영어명
- Bencarbazone
- 분자식
- C13H13F4N5O3S2
- 분자량
- 427.4
이름 및 동의어
Bencarbazone173980-17-1Bencarbazone [ISO]UNII-1L6YBH3E981L6YBH3E98MidasHWH 4991HWH-4991DTXSID2057998CHEBI:145865TM 435TM-435
이름 더 보기
2-[2-Fluoro-4-(aMinothiocarbonyl)-5-[(ethylsulfonyl)aMino]phenyl]-4-Methyl-5-(trifluoroMethyl)-2,4-dihydro-3H-1,2
4-[4,5-Dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]-2-[(ethylsulfonyl)amino]-5-fluorobenzenecarbothioamideBenzenecarbothioamide, 4-(4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)-2-((ethylsulfonyl)amino)-5-fluoro-4-(4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl)-2-((ethylsulfonyl)amino)-5-fluorobenzenecarbothioamideBenzenecarbothioamide, 4-[4,5-dihydro-4-methyl-5-oxo-3-(trifluoromethyl)-1H-1,2,4-triazol-1-yl]-2-[(ethylsulfonyl)amino]-5-fluoro-2-(2-FLUORO-4-(AMINOTHIOCARBONYL)-5-((ETHYLSULFONYL)AMINO)PHENYL)-4-METHYL-5-(TRIFLUOROMETHYL)-2,4-DIHYDRO-3H-1,2,4-TRIAZOL-3-ONE2-(ethanesulfonamido)-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzene-1-carbothioamide2-[(ethylsulfonyl)amino]-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl]benzenecarbothioamide2-((ethylsulfonyl)amino)-5-fluoro-4-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)benzenecarbothioamide
데이터베이스 식별자
- CAS
173980-17-1- PubChem CID
- 11037341
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 752
물리화학적 성질
- EPA
- Bencarbazone (173980-17-1)
화학 및 산업
응용 분야
용도Bencarbazone is used in the preparation of heterocyclylthiobenzamides as herbicides.
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