Methyl 3-amino-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylate

HCID 24989346

기본 정보

표준 SMILES
COC(=O)c1sc(C#CC(C)(C)C)cc1N
InChIKey
MDDXNVPRRYHPMO-UHFFFAOYSA-N
분자식
C12H15NO2S
평균 분자량
237.32 g/mol

이름 및 식별자

우선 이름
Methyl 3-amino-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylate
IUPAC
methyl 3-amino-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate

이름 및 동의어

1026785-75-0Methyl 3-amino-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylatemethyl 3-amino-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylateMFCD263926003-amino-5-(3,3-dimethyl-but-1-ynyl)-thiophene-2-carboxylic acid methyl esterSCHEMBL101448MDDXNVPRRYHPMO-UHFFFAOYSA-NSY278861DB-304455F52292Methyl 3-Amino-5-(3,3-dimethyl-1-butynyl)thiophene-2-carboxylatemethyl 3-azanyl-5-(3,3-dimethylbut-1-ynyl)thiophene-2-carboxylate
이름 더 보기
Methyl3-amino-5-(3,3-dimethylbut-1-yn-1-yl)thiophene-2-carboxylate5-(3,3-dimethyl-but-1-ynyl)-3-amino-thiophene-2-carboxylic acid methyl ester

데이터베이스 식별자

PubChem CID
24989346

물성

구조 계산 물성

XLogP
3.8
극성 표면적
80.6 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
4
무거운 원자 수
16

관련 반응

26건

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