(3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
기본 정보
- CAS
165549-68-8- 표준 SMILES
CC(C)OC(=S)Nc1ccc(Cl)c(/C=N/OC(C)(C)C)c1- InChIKey
RCXQHLSNKCYCLP-RQZCQDPDSA-N- 분자식
- C15H21ClN2O2S
- 평균 분자량
- 328.9 g/mol
- 단동위원소 질량
- 328.1012268
이름 및 식별자
- 우선 이름
- (3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
- IUPAC
- O-propan-2-yl N-[4-chloro-3-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]phenyl]carbamothioate
이름 및 동의어
UC-32UC32UC 327QAV3D24F3(3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester165549-68-8NSC 645542NSC-645542UNII-7QAV3D24F3NSC645542Carbamothioic acid, (4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-, O-(1-methylethyl) esterO-(1-Methylethyl) N-(4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)carbamothioate
이름 더 보기
[3-(tert-Butoxyimino-methyl)-4-chloro-phenyl]-thiocarbamic acid, O-isopropyl esterO-(1-Methylethyl) N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]carbamothioateCarbamothioic acid, [4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) esterCHEMBL1994315SCHEMBL29571959Carbamothioic acid,1-dimethylethoxy) iminomethyl]-, O-(1-methylethyl) esterO-isopropyl N-[3-[(E)-tert-butoxyiminomethyl]-4-chloro-phenyl]carbamothioateCarbamothioic acid, N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester
데이터베이스 식별자
- CAS
165549-68-8- PubChem CID
- 9554700
- ChEMBL
CHEMBL1994315- UNII
- 7QAV3D24F3
- Nikkaji
- J726.345G
물성
구조 계산 물성
- XLogP
- 4.6
- 극성 표면적
- 74.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 369
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