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

C7H11NO3S2 — CID 54268573

IUPAC3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESCOC(Cn1c(O)csc1=S)OC
InChIInChI=1S/C7H11NO3S2/c1-10-6(11-2)3-8-5(9)4-13-7(8)12/h4,6,9H,3H2,1-2H3
InChIKeyRINGTGANZHQYAX-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.60
Rot. Bonds4

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

3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 54268573) has the molecular formula C7H11NO3S2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
PubChem CID54268573
Molecular FormulaC7H11NO3S2
Molecular Weight221.30 g/mol
Exact Mass221.02
IUPAC Name3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
SMILESCOC(Cn1c(O)csc1=S)OC
InChIInChI=1S/C7H11NO3S2/c1-10-6(11-2)3-8-5(9)4-13-7(8)12/h4,6,9H,3H2,1-2H3
InChIKeyRINGTGANZHQYAX-UHFFFAOYSA-N
XLogP1.60
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione (CID 54268573) is 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione is COC(Cn1c(O)csc1=S)OC.
What is the InChIKey of 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is RINGTGANZHQYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S2/c1-10-6(11-2)3-8-5(9)4-13-7(8)12/h4,6,9H,3H2,1-2H3.
What are the key properties of 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione?
3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 221.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 54268573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).