ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone

C10H19NOS2 — CID 143328145

IUPACethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone
SMILESCC.CC(=O)c1csc(=S)[nH]1.CCC
InChIInChI=1S/C5H5NOS2.C3H8.C2H6/c1-3(7)4-2-9-5(8)6-4;1-3-2;1-2/h2H,1H3,(H,6,8);3H2,1-2H3;1-2H3
InChIKeyPKRHGURMCSNMJE-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.45
Rot. Bonds1

About ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone

ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone (PubChem CID 143328145) has the molecular formula C10H19NOS2 and a molecular weight of 233.40 g/mol. Its IUPAC name is ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Nameethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone
PubChem CID143328145
Molecular FormulaC10H19NOS2
Molecular Weight233.40 g/mol
Exact Mass233.09
IUPAC Nameethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone
SMILESCC.CC(=O)c1csc(=S)[nH]1.CCC
InChIInChI=1S/C5H5NOS2.C3H8.C2H6/c1-3(7)4-2-9-5(8)6-4;1-3-2;1-2/h2H,1H3,(H,6,8);3H2,1-2H3;1-2H3
InChIKeyPKRHGURMCSNMJE-UHFFFAOYSA-N
XLogP4.45
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone?
The IUPAC name of ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone (CID 143328145) is ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone is CC.CC(=O)c1csc(=S)[nH]1.CCC.
What is the InChIKey of ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone?
The InChIKey is PKRHGURMCSNMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS2.C3H8.C2H6/c1-3(7)4-2-9-5(8)6-4;1-3-2;1-2/h2H,1H3,(H,6,8);3H2,1-2H3;1-2H3.
What are the key properties of ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone?
ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone has a molecular weight of 233.40 g/mol, XLogP of 4.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;propane;1-(2-sulfanylidene-3H-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 143328145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).