기본 정보
- 표준 SMILES
COC(=O)c1ccc2c(c1)C(Sc1ccccc1)=CCC2(C)C- InChIKey
RVUDGJRVUGZJGZ-UHFFFAOYSA-N- 분자식
- C20H20O2S
- 평균 분자량
- 324.4 g/mol
이름 및 식별자
- 우선 이름
- Methyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylate
- IUPAC
- methyl 5,5-dimethyl-8-phenylsulfanyl-6H-naphthalene-2-carboxylate
이름 및 동의어
SCHEMBL6292700RVUDGJRVUGZJGZ-UHFFFAOYSA-Nmethyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio) -naphthalene-2-carboxylatemethyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylateMethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio) -naphthalene-2-carboxylateMethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene -2-carboxylatemethyl-5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylateMethyl-5,5-dimethyl-5.6-dihydro-8-(phenylthio)-naphthalene-2-carboxylate
데이터베이스 식별자
- PubChem CID
- 22571588
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 51.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 462
관련 반응
35건
연결된 노트
불러오는 중…