3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione

C7H11NO2S2 — CID 54551323

IUPAC3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESCCOCCn1c(O)csc1=S
InChIInChI=1S/C7H11NO2S2/c1-2-10-4-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyZKCGJJVLRMWPCZ-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.02
Rot. Bonds4

About 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione

3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54551323) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54551323
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESCCOCCn1c(O)csc1=S
InChIInChI=1S/C7H11NO2S2/c1-2-10-4-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyZKCGJJVLRMWPCZ-UHFFFAOYSA-N
XLogP2.02
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)acetate
CID 54082984
3-(2,2-Dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 54268573
4-Hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione
CID 54573740
2-(4-Hydroxy-2-sulfanylidene-1,3-thiazol-3-yl)ethyl acetate
CID 57234222
3-(2-Hydroperoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 91108422
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione
CID 91268921
4-Hydroxy-3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,3-thiazole-2-thione
CID 123651890

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione (CID 54551323) is 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione is CCOCCn1c(O)csc1=S.
What is the InChIKey of 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is ZKCGJJVLRMWPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-2-10-4-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 205.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54551323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).