2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
기본 정보
- CAS
618879-84-8- 표준 SMILES
C=CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1cccs1- InChIKey
XFNDDJAYLFPYBP-UHFFFAOYSA-N- 분자식
- C18H14ClF3N4OS2
- 평균 분자량
- 458.9 g/mol
- 단동위원소 질량
- 458.0249656
이름 및 식별자
- 우선 이름
- 2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide
- IUPAC
- N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
이름 및 동의어
618879-84-82-{[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE2-((4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamideRefChem:448791638-281-2N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamideSTL339969AKOS002188469ST50081458N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-tr iazol-3-ylthio))acetamide
데이터베이스 식별자
- CAS
618879-84-8- PubChem CID
- 2034816
- EC Number
- 638-281-2
물성
구조 계산 물성
- XLogP
- 4.8
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 586
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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