3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one

C5H7NOS3 — CID 102300959

IUPAC3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
SMILESCCn1c(S)c(S)sc1=O
InChIInChI=1S/C5H7NOS3/c1-2-6-3(8)4(9)10-5(6)7/h8-9H,2H2,1H3
InChIKeyQSYMVOWXUVGSPP-UHFFFAOYSA-N
MW193.32 g/mol
LogP1.51
Rot. Bonds1

About 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one

3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one (PubChem CID 102300959) has the molecular formula C5H7NOS3 and a molecular weight of 193.32 g/mol. Its IUPAC name is 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
PubChem CID102300959
Molecular FormulaC5H7NOS3
Molecular Weight193.32 g/mol
Exact Mass192.97
IUPAC Name3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one
SMILESCCn1c(S)c(S)sc1=O
InChIInChI=1S/C5H7NOS3/c1-2-6-3(8)4(9)10-5(6)7/h8-9H,2H2,1H3
InChIKeyQSYMVOWXUVGSPP-UHFFFAOYSA-N
XLogP1.51
TPSA22.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-Ethyl-4-hydroxy-5-sulfanyl-1,3-thiazol-2-one
CID 90830304
3-Ethyl-2-oxo-1,3-thiazole-4,5-diselenolate
CID 139121533

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one?
The IUPAC name of 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one (CID 102300959) is 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one is CCn1c(S)c(S)sc1=O.
What is the InChIKey of 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one?
The InChIKey is QSYMVOWXUVGSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NOS3/c1-2-6-3(8)4(9)10-5(6)7/h8-9H,2H2,1H3.
What are the key properties of 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one?
3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one has a molecular weight of 193.32 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-bis(sulfanyl)-1,3-thiazol-2-one is sourced from PubChem (CID 102300959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).