기본 정보
- CAS
477495-37-7- 표준 SMILES
CCOC(=O)c1c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)sc2c1CCC2- InChIKey
STNKKGRBEIHOGB-UHFFFAOYSA-N- 분자식
- C20H17ClN2O3S3
- 평균 분자량
- 465 g/mol
- 단동위원소 질량
- 464.0089836
이름 및 식별자
- 우선 이름
- ethyl 2-(3-(3-chlorobenzo[b]thiophene-2-carbonyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- IUPAC
- ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 영어명
- ethyl 2-(3-(3-chlorobenzo[b]thiophene-2-carbonyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
- 분자식
- C20H17ClN2O3S3
- 분자량
- 465.01
이름 및 동의어
477495-37-7ethyl 2-(3-(3-chlorobenzo[b]thiophene-2-carbonyl)thioureido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateETHYL 2-({[(3-CHLORO-1-BENZOTHIOPHEN-2-YL)FORMAMIDO]METHANETHIOYL}AMINO)-4H,5H,6H-CYCLOPENTA[B]THIOPHENE-3-CARBOXYLATEF0806-0683Oprea1_667609SMSSF-0061187STK119988AKOS000495553ethyl 2-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateAN-329/41573513ethyl 2-({[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}amino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylateethyl 2-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
이름 더 보기
ethyl 2-[({[(3-chloro-1-benzothien-2-yl)carbonyl]amino}carbonothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxyla4H-Cyclopenta[b]thiophene-3-carboxylic acid, 2-[[[[(3-chlorobenzo[b]thien-2-yl)carbonyl]amino]thioxomethyl]amino]-5,6-dihydro-, ethyl ester
ethyl 3-{3-[(3-chloro-1-benzothiophen-2-yl)carbonyl]thioureido}-2-thiabicyclo[3.3.0]octa-1(5),3-diene-4-carboxylate
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 156 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 667
공급사
불러오는 중…
공개 문의
불러오는 중…
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…