기본 정보
- CAS
262296-64-0- 표준 SMILES
O=C(Cn1nnc(CSc2ccc(Cl)cc2)n1)NNC(=S)Nc1ccccc1C(F)(F)F- InChIKey
NWFLHMJUXIPXSO-UHFFFAOYSA-N- 분자식
- C18H15ClF3N7OS2
- 평균 분자량
- 501.9 g/mol
- 단동위원소 질량
- 501.0420127
이름 및 식별자
- 우선 이름
- 1-[[2-[5-[(4-Chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
- IUPAC
- 1-[[2-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thiourea
- 영어명
- N1-[2-(Trifluoromethyl)phenyl]-2-[2-(5-{[(4-chlorophenyl)thio]methyl}-2H-1,2,3,4-tetraazol-2-yl)acetyl]hydrazine-1-carbothioamide
- 분자식
- C18H15ClF3N7OS2
- 분자량
- 501.94
이름 및 동의어
262296-64-0CID 27437731-[[2-[5-[(4-chlorophenyl)sulfanylmethyl]tetrazol-2-yl]acetyl]amino]-3-[2-(trifluoromethyl)phenyl]thioureaDTXSID30372500CCG-255021NS000978252-[(5-{[(4-Chlorophenyl)sulfanyl]methyl}-2H-tetrazol-2-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]hydrazine-1-carbothioamide2-[(5-{[(4-Chlorophenyl)sulfanyl]methyl}-2H-tetrazol-2-yl)acetyl]-N-[2-(trifluoromethyl)phenyl]hydrazinecarbothioamide2H-Tetrazole-2-acetic acid, 5-[[(4-chlorophenyl)thio]methyl]-, 2-[thioxo[[2-(trifluoromethyl)phenyl]amino]methyl]hydrazideN1-[2-(Trifluoromethyl)phenyl]-2-[2-(5-{[(4-chlorophenyl)thio]methyl}-2H-1,2,3,4-tetraazol-2-yl)acetyl]hydrazine-1-carbothioamide
데이터베이스 식별자
- CAS
262296-64-0- PubChem CID
- 2743773
- DTXSID
DTXSID30372500
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 154 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 640
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