4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole

C6H9NO2S3 — CID 142089231

IUPAC4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole
SMILESSOCCc1ncsc1COS
InChIInChI=1S/C6H9NO2S3/c10-8-2-1-5-6(3-9-11)12-4-7-5/h4,10-11H,1-3H2
InChIKeyXUFBVDRBQVCNKL-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.91
Rot. Bonds5

About 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole

4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole (PubChem CID 142089231) has the molecular formula C6H9NO2S3 and a molecular weight of 223.34 g/mol. Its IUPAC name is 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole
PubChem CID142089231
Molecular FormulaC6H9NO2S3
Molecular Weight223.34 g/mol
Exact Mass222.98
IUPAC Name4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole
SMILESSOCCc1ncsc1COS
InChIInChI=1S/C6H9NO2S3/c10-8-2-1-5-6(3-9-11)12-4-7-5/h4,10-11H,1-3H2
InChIKeyXUFBVDRBQVCNKL-UHFFFAOYSA-N
XLogP1.91
TPSA31.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
CID 71467179
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol;hydrochloride
CID 137332786
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-(4-methyl-1,3-thiazol-5-yl)ethanethiol
CID 18690003
bis[2-(4-methyl-1,3-thiazol-5-yl)ethyl] butanedioate
CID 10406736
4-methyl-5-[2-[6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]hexoxy]ethyl]-1,3-thiazole
CID 11474127
methyl 2-[5-(2-hydroxyethyl)-1,3-thiazol-4-yl]acetate
CID 20846330
2-[5-(2-bromoethyl)-1,3-thiazol-4-yl]acetic acid
CID 174616560
bis[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-oxoazanium
CID 66636338
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]cyclohexane-1-carboxylic acid
CID 114451058
5-(2-iodoethyl)-4-methyl-1,3-thiazole
CID 3031968
2-(4-methyl-1,3-thiazol-5-yl)ethyl cyclopropanecarboxylate
CID 11401580

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole?
The IUPAC name of 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole (CID 142089231) is 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole.
What is the SMILES notation for 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole?
The canonical SMILES for 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole is SOCCc1ncsc1COS.
What is the InChIKey of 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole?
The InChIKey is XUFBVDRBQVCNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2S3/c10-8-2-1-5-6(3-9-11)12-4-7-5/h4,10-11H,1-3H2.
What are the key properties of 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole?
4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole has a molecular weight of 223.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfanyloxyethyl)-5-(sulfanyloxymethyl)-1,3-thiazole is sourced from PubChem (CID 142089231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).