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

C7H11NO2S2 — CID 91268921

IUPAC4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione
SMILESCOCCCn1c(O)csc1=S
InChIInChI=1S/C7H11NO2S2/c1-10-4-2-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyOOGFJMZSLFGWJX-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.02
Rot. Bonds4

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

4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione (PubChem CID 91268921) has the molecular formula C7H11NO2S2 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione.

Molecular Properties

Compound Name4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione
PubChem CID91268921
Molecular FormulaC7H11NO2S2
Molecular Weight205.30 g/mol
Exact Mass205.02
IUPAC Name4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione
SMILESCOCCCn1c(O)csc1=S
InChIInChI=1S/C7H11NO2S2/c1-10-4-2-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3
InChIKeyOOGFJMZSLFGWJX-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

3-Butyl-4-hydroxy-1,3-thiazole-2-thione
CID 54000641
4-Hydroxy-3-propyl-1,3-thiazole-2-thione
CID 53869427
4-Hydroxy-3-(3-methoxypropyl)-1,3-thiazol-2-one
CID 54426525
3-(2-Ethoxyethyl)-4-hydroxy-1,3-thiazole-2-thione
CID 54551323

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione?
The IUPAC name of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione (CID 91268921) is 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione.
What is the SMILES notation for 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione?
The canonical SMILES for 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione is COCCCn1c(O)csc1=S.
What is the InChIKey of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione?
The InChIKey is OOGFJMZSLFGWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S2/c1-10-4-2-3-8-6(9)5-12-7(8)11/h5,9H,2-4H2,1H3.
What are the key properties of 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione?
4-hydroxy-3-(3-methoxypropyl)-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 4-hydroxy-3-(3-methoxypropyl)-1,3-thiazole-2-thione is sourced from PubChem (CID 91268921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).