3-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨

3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium

HCID 425305CAS 46719-49-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: Cc1c(CCO)sc[n+]1Cc1ccccc1
InChIKey: KFFCZLRCIKDJRE-UHFFFAOYSA-N
분자식: C13H16NOS+
평균 분자량: 234.34 g/mol
단동위원소 질량: 234.09471155

이름 및 식별자

우선 이름: 3-Benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
IUPAC: 2-(3-benzyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol
현지명: 3-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨
영어명: 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium
분자량: 0

이름 및 동의어

46719-49-73-benzyl-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-iumSTK256619HMS1397F14CA inhibitor, 2Enamine_001180CBDivE_007352SCHEMBL2900332DTXSID90329954BDBM237291AKOS0016034913-벤질-5-(2-하이드록시에틸)-4-메틸티아졸륨

이름 더 보기

3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium

데이터베이스 식별자

CAS: 46719-49-7
PubChem CID: 425305
DTXSID: DTXSID90329954
Nikkaji: J232.008H

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 52.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 1
복잡도: 206

관련 반응

64건

반응 기록 만들기

HRID 91382반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 92838반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 99909반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 106286반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 107862반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 114686반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 124252반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 138212반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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