기본 정보
- CAS
125306-83-4- 표준 SMILES
CCN(CC)C(=O)n1cnc(S(=O)(=O)c2c(C)cc(C)cc2C)n1- InChIKey
HFEJHAAIJZXXRE-UHFFFAOYSA-N- 분자식
- C16H22N4O3S
- 평균 분자량
- 350.4 g/mol
- 단동위원소 질량
- 350.14126175
개요
Cafenstrole is a member of the class of thiazoles that is 1,2,4-triazolethat is substituted at positiosn 1 and 3 by diethylaminocarbonyl and 3-mesitylsulfonyl groups, respectively. An animitotic, it is used to control of grassy weeds in rice paddys. Not approved for use in the European Union. It has a role as a herbicide, an agrochemical and an antimitotic. It is a member of benzenes, a member of triazoles and a sulfone.
이름 및 식별자
- 우선 이름
- Cafenstrole
- IUPAC
- N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide
- 현지명
- 카펜스트롤
- 영어명
- CAFENSTROLE
- 분자식
- C16H22N4O3S
- 분자량
- 350.44
이름 및 동의어
Cafenstrole125306-83-4N,N-Diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamideGRACHITORII8JP4LY7AHIMEADOWDTXSID7057949CH-9001H-1,2,4-TRIAZOLE-1-CARBOXAMIDE, N,N-DIETHYL-3-((2,4,6-TRIMETHYLPHENYL)SULFONYL)-1H-1,2,4-Triazole-1-carboxamide, N,N-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-RefChem:122656DTXCID5031717
이름 더 보기
카펜스트롤Cafenstrole 0cafenstrole (pa iso)CAFENSTROLE STANDARDC10934500 CafenstroleRefametinib Impurity 12Cafenstrole in Acetonitrile
603-054-9Cafenstrole [ISO]MFCD01631150N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamiden,n-diethyl-3-[(2,4,6-trimethylphenyl)sulfonyl]-1h-1,2,4-triazole-1-carboxamideN,N-Diethyl-3-(mesitylsulphonyl)-1H-1,2,4-triazole-1-carboximidamide (Cafenstrole)UNII-II8JP4LY7ASCHEMBL54625
데이터베이스 식별자
- CAS
125306-83-4
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 93.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 532
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide
물리화학적 성질
- 녹는점
- 115 ℃ · 115℃
- 끓는 점
- 525.4 · 525.4±60.0 °C(Predicted)
- 밀도
- 1.26 · 1.26
- 저장 조건
- 0 · 0-6°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- -1.73 · -1.73±0.70(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- Henry's Law Constant
- 8 · 8.0×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
안전 및 규제
GHS 분류
GHS Classification
Danger
H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P264, P270, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
Warning
H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
유해성 정보
Hazard Classes and Categories
Reproductive toxicity - Category 2
Reproductive toxicity - Category 2
화학 및 산업
상·하류 제품 정보
상류 원료
공급사45 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海毕楷科技有限公司18516304666
广东大小化工有限公司1866-171603 18666171603 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
관련 반응
2건
화합물 노트
불러오는 중…