기본 정보
- CAS
318234-16-1- 표준 SMILES
Cn1nc(-c2ccccc2)c(CSc2cccc(C(F)(F)F)c2)c1Cl- InChIKey
RGBAQSSQLUBRHP-UHFFFAOYSA-N- 분자식
- C18H14ClF3N2S
- 평균 분자량
- 382.8 g/mol
이름 및 식별자
- 우선 이름
- (5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)phenyl sulfide
- IUPAC
- 5-chloro-1-methyl-3-phenyl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyrazole
- 영어명
- (5-Chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)phenyl sulfide
- 분자식
- C18H14ClF3N2S
- 분자량
- 382.83
이름 및 동의어
318234-16-1(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)methyl 3-(trifluoromethyl)phenyl sulfide5-chloro-1-methyl-3-phenyl-4-[[3-(trifluoromethyl)phenyl]sulfanylmethyl]pyrazole5-chloro-1-methyl-3-phenyl-4-({[3-(trifluoromethyl)phenyl]sulfanyl}methyl)-1H-pyrazoleAKOS0050884373K-598S5-Chloro-1-methyl-3-phenyl-4-(((3-(trifluoromethyl)phenyl)thio)methyl)-1H-pyrazole1H-Pyrazole, 5-chloro-1-methyl-3-phenyl-4-[[[3-(trifluoromethyl)phenyl]thio]methyl]-5-CHLORO-1-METHYL-3-PHENYL-4-(([3-(TRIFLUOROMETHYL)PHENYL]SULFANYL)METHYL)-1H-PYRAZOLE
데이터베이스 식별자
- CAS
318234-16-1
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 43.1 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 431
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