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

C6H9NOS2 — CID 14093928

IUPAC3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1CCO
InChIInChI=1S/C6H9NOS2/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3
InChIKeyFKGGGAAMTRKYDR-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.58
Rot. Bonds2

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

3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione (PubChem CID 14093928) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
PubChem CID14093928
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione
SMILESCc1csc(=S)n1CCO
InChIInChI=1S/C6H9NOS2/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3
InChIKeyFKGGGAAMTRKYDR-UHFFFAOYSA-N
XLogP1.58
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-{2-[(2-Hydroxyethyl)sulfanyl]ethyl}-4-methyl-1,3-thiazole-2(3H)-thione
CID 20260303
1-(4-methyl-2H-1,3-thiazol-3-yl)propan-2-ol
CID 57261095
3,4-Dimethyl-1,3-thiazole-2-thione;methanol
CID 88493657
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrochloride
CID 141259282
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol;hydrate
CID 174622114
2-(4-methyl-2H-1,3-thiazol-3-yl)ethanol
CID 141259283

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione?
The IUPAC name of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione (CID 14093928) is 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione.
What is the SMILES notation for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione?
The canonical SMILES for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione is Cc1csc(=S)n1CCO.
What is the InChIKey of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione?
The InChIKey is FKGGGAAMTRKYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-5-4-10-6(9)7(5)2-3-8/h4,8H,2-3H2,1H3.
What are the key properties of 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione?
3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione has a molecular weight of 175.28 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-4-methyl-1,3-thiazole-2-thione is sourced from PubChem (CID 14093928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).