기본 정보
- CAS
492428-96-3- 표준 SMILES
COc1ccc(C=O)cc1CSc1nc(C(F)F)cc(C)c1C#N- InChIKey
MWGXHVQZRIDREU-UHFFFAOYSA-N- 분자식
- C17H14F2N2O2S
- 평균 분자량
- 348.4 g/mol
- 단동위원소 질량
- 348.07440519
이름 및 식별자
- 우선 이름
- 6-(Difluoromethyl)-2-[(5-formyl-2-methoxybenzyl)thio]-4-methylnicotinonitrile
- IUPAC
- 6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]-4-methylpyridine-3-carbonitrile
- 영어명
- 6-(DIFLUOROMETHYL)-2-[(5-FORMYL-2-METHOXYBENZYL)THIO]-4-METHYLNICOTINONITRILE
- 분자식
- C17H14F2N2O2S
- 분자량
- 348.37
이름 및 동의어
492428-96-36-(difluoromethyl)-2-[(5-formyl-2-methoxybenzyl)thio]-4-methylnicotinonitrile6-(Difluoromethyl)-2-((5-formyl-2-methoxybenzyl)thio)-4-methylnicotinonitrile6-(difluoromethyl)-2-{[(5-formyl-2-methoxyphenyl)methyl]sulfanyl}-4-methylpyridine-3-carbonitrileMFCD022537406-(difluoromethyl)-2-[(5-formyl-2-methoxybenzyl)-thio]-4-methylnicotinonitrile6-(difluoromethyl)-2-[(5-formyl-2-methoxyphenyl)methylsulfanyl]-4-methylpyridine-3-carbonitrile6-(difluoromethyl)-2-[(5-formyl-2-methoxy-phenyl)methylsulfanyl]-4-methyl-pyridine-3-carbonitrileMWGXHVQZRIDREU-UHFFFAOYSA-N6-(difluoromethyl)-2-([(5-formyl-2-methoxyphenyl)methyl]sulfanyl)-4-methylpyridine-3-carbonitrileALBB-001121SBB019671
이름 더 보기
3-Pyridinecarbonitrile, 6-(difluoromethyl)-2-[[(5-formyl-2-methoxyphenyl)methyl]thio]-4-methyl-
STK316792AKOS0003042636-(difluoromethyl)-2-[(5-formyl-2-methoxybenzyl)sulfanyl]-4-methylpyridine-3-carbonitrile6-Difluoromethyl-2-(5-formyl-2-methoxy-benzylsulfanyl)-4-methyl-nicotinonitrileVS-09337CS-0280649EN300-227750H21265
물성
구조 계산 물성
- XLogP
- 3.4
- 극성 표면적
- 88.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 471
화학 및 산업
공급사1 곳
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
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