기본 정보
- CAS
385378-28-9- 표준 SMILES
C=C(C)CNC(=S)Nc1sc2c(c1C(=O)OCC)CCCCC2- InChIKey
FKRJRMNISDFKKT-UHFFFAOYSA-N- 분자식
- C17H24N2O2S2
- 평균 분자량
- 352.5 g/mol
이름 및 식별자
- 우선 이름
- ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-({[(2-methyl-2-propenyl)amino]carbothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
- 분자식
- C17H24N2O2S2
- 분자량
- 352.51466
이름 및 동의어
ethyl 2-({[(2-methyl-2-propenyl)amino]carbothioyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateOprea1_362241STK993852AKOS001626420ethyl 2-(2-methylprop-2-enylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylateST038057AJ-292/40461312SR-01000452401SR-01000452401-1ethyl 2-({[(2-methylprop-2-enyl)amino]thioxomethyl}amino)-4,5,6,7,8-pentahydro cyclohepta[2,1-b]thiophene-3-carboxylateETHYL 2-{[(2-METHYLPROP-2-EN-1-YL)CARBAMOTHIOYL]AMINO}-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATEethyl 2-{[(2-methylprop-2-en-1-yl)carbamothioyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
데이터베이스 식별자
- CAS
385378-28-9
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 111 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 456
화학 및 산업
공급사1 곳
SPECS[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…