2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one

C6H9NOS2 — CID 11008443

IUPAC2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one
SMILESCCSC1=NC(C)C(=O)S1
InChIInChI=1S/C6H9NOS2/c1-3-9-6-7-4(2)5(8)10-6/h4H,3H2,1-2H3
InChIKeyZLNUVMMWSPXLEB-UHFFFAOYSA-N
MW175.28 g/mol
LogP1.76
Rot. Bonds1

About 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one

2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one (PubChem CID 11008443) has the molecular formula C6H9NOS2 and a molecular weight of 175.28 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one
PubChem CID11008443
Molecular FormulaC6H9NOS2
Molecular Weight175.28 g/mol
Exact Mass175.01
IUPAC Name2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one
SMILESCCSC1=NC(C)C(=O)S1
InChIInChI=1S/C6H9NOS2/c1-3-9-6-7-4(2)5(8)10-6/h4H,3H2,1-2H3
InChIKeyZLNUVMMWSPXLEB-UHFFFAOYSA-N
XLogP1.76
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one?
The IUPAC name of 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one (CID 11008443) is 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one.
What is the SMILES notation for 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one?
The canonical SMILES for 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one is CCSC1=NC(C)C(=O)S1.
What is the InChIKey of 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one?
The InChIKey is ZLNUVMMWSPXLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NOS2/c1-3-9-6-7-4(2)5(8)10-6/h4H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one?
2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one has a molecular weight of 175.28 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyl-4H-1,3-thiazol-5-one is sourced from PubChem (CID 11008443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).