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

HCID 688124

Notes Reactions

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Basic information

CAS: 45892-42-0
Standard SMILES: CC[n+]1csc(CCO)c1C
InChIKey: NFDLWKHZVUNLME-UHFFFAOYSA-N
Molecular formula: C8H14NOS+
Average molar mass: 172.27 g/mol
Monoisotopic mass: 172.07961024

Names & identifiers

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

Names & synonyms

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

Database identifiers

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

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 52.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 1
Complexity: 121

Related reactions

9 records

New reaction record

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

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

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

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

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

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

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

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

Compound notes

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