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

C5H7NO2S2 — CID 54573740

IUPAC4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione
SMILESOCCn1c(O)csc1=S
InChIInChI=1S/C5H7NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2
InChIKeyZZCVBPMPAXTIIJ-UHFFFAOYSA-N
MW177.25 g/mol
LogP0.98
Rot. Bonds2

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

4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione (PubChem CID 54573740) has the molecular formula C5H7NO2S2 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione
PubChem CID54573740
Molecular FormulaC5H7NO2S2
Molecular Weight177.25 g/mol
Exact Mass176.99
IUPAC Name4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione
SMILESOCCn1c(O)csc1=S
InChIInChI=1S/C5H7NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2
InChIKeyZZCVBPMPAXTIIJ-UHFFFAOYSA-N
XLogP0.98
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 54551323
4-Hydroxy-3-(hydroxymethyl)-1,3-thiazole-2-thione
CID 57310109
3-(2-Hydroperoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 91108422
3-(2-Hydroxyethyl)-1,3-thiazole-2-thione
CID 141188624
3-(2-Hydroxyethenyl)-1,3-thiazole-2-thione
CID 141188626

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione (CID 54573740) is 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione is OCCn1c(O)csc1=S.
What is the InChIKey of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
The InChIKey is ZZCVBPMPAXTIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO2S2/c7-2-1-6-4(8)3-10-5(6)9/h3,7-8H,1-2H2.
What are the key properties of 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione?
4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione has a molecular weight of 177.25 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-hydroxyethyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 54573740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).