phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate

HCID 53887993
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
CC(C)C(=NSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)Sc1ccccc1
InChIKey
HOMKDMIYGLTTGO-UHFFFAOYSA-N
분자식
C22H26N2O3S2
평균 분자량
430.6 g/mol

이름 및 식별자

우선 이름
phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate
IUPAC
phenyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate

이름 및 동의어

SCHEMBL10841608HOMKDMIYGLTTGO-UHFFFAOYSA-Nphenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7- benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidatephenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate

데이터베이스 식별자

PubChem CID
53887993

물성

구조 계산 물성

XLogP
5.7
극성 표면적
102 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
29

관련 반응

3건
반응 기록 만들기

연결된 노트

불러오는 중…

phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate (HCID 53887993)｜Huagongshe