Methyl 5,5-dimethyl-5,6-dihydro-8-(phenylthio)-naphthalene-2-carboxylate

HCID 22571588

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

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35건

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