Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-

HCID 688124CAS 45892-42-0

기본 정보

표준 SMILES: CC[n+]1csc(CCO)c1C
InChIKey: NFDLWKHZVUNLME-UHFFFAOYSA-N
분자식: C8H14NOS+
평균 분자량: 172.27 g/mol
단동위원소 질량: 172.07961024

이름 및 식별자

우선 이름: Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-
IUPAC: 2-(3-ethyl-4-methyl-1,3-thiazol-3-ium-5-yl)ethanol

이름 및 동의어

Thiazolium, 3-ethyl-5-(2-hydroxyethyl)-4-methyl-45892-42-0DTXSID00350794RefChem:384783DTXCID40301861SCHEMBL2026240NFDLWKHZVUNLME-UHFFFAOYSA-N3-ETHYL-5-(2-HYDROXYETHYL)-4-METHYL-1,3-THIAZOL-3-IUM3-ethyl-5-(2-hydroxyeth-yl)-4-methylthiazolium

데이터베이스 식별자

CAS: 45892-42-0
PubChem CID: 688124
DTXSID: DTXSID00350794
Nikkaji: J265.401F

물성

구조 계산 물성

XLogP: 1.4
극성 표면적: 52.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 2
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 1
복잡도: 121

관련 반응

9건

반응 기록 만들기

HRID 109588반응물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 134519반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 172923반응물로Training data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 282498반응물로Training data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 1561502반응물로Training data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2160772반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2163064반응물로Training data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2315304반응물로Training data from https://doi.org/10.1039/C8SC04228D (10/10)

연결된 노트

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