5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione

C9H11NO2S2 — CID 159644894

IUPAC5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione
SMILESCC1=CCC(=S)O1.Cc1c[nH]c(=S)o1
InChIInChI=1S/C5H6OS.C4H5NOS/c1-4-2-3-5(7)6-4;1-3-2-5-4(7)6-3/h2H,3H2,1H3;2H,1H3,(H,5,7)
InChIKeyMQVFPXNKNHOGRA-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.28
Rot. Bonds

About 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione

5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione (PubChem CID 159644894) has the molecular formula C9H11NO2S2 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione.

Molecular Properties

Compound Name5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione
PubChem CID159644894
Molecular FormulaC9H11NO2S2
Molecular Weight229.33 g/mol
Exact Mass229.02
IUPAC Name5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione
SMILESCC1=CCC(=S)O1.Cc1c[nH]c(=S)o1
InChIInChI=1S/C5H6OS.C4H5NOS/c1-4-2-3-5(7)6-4;1-3-2-5-4(7)6-3/h2H,3H2,1H3;2H,1H3,(H,5,7)
InChIKeyMQVFPXNKNHOGRA-UHFFFAOYSA-N
XLogP3.28
TPSA38.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.28
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

2,6-dimethyl-4H-pyran;ethane
CID 143762964
5-(4-methylphenyl)-3H-1,3-oxazole-2-thione
CID 59755605
5-propyl-3H-1,3-oxazole-2-thione
CID 22714638
3-(1-hydroxyethylidene)-6-methyl-4H-pyran-2-one
CID 67762758
2-(2-sulfanylidene-3H-1,3-oxazol-5-yl)benzenesulfonic acid
CID 19909442
ethane;2-methyl-6H-cyclohepta[b]furan
CID 155574289
5-(3-chlorophenyl)-3H-1,3-oxazole-2-thione
CID 22425597
5-methyl-4-phenyl-3H-1,3-oxazole-2-thione
CID 59755588
5-[(1R)-1-aminoethyl]-4-methyl-1H-pyridine-2-thione
CID 124502094
5-[1-hydroxy-2-(2,4,6-trimethylanilino)ethyl]-3H-1,3-oxazole-2-thione
CID 175538771
5-[2-(4-chlorophenyl)phenyl]-3H-1,3-oxazole-2-thione
CID 21408628
2-tert-butyl-6-methyl-4H-pyran
CID 141260258

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione?
The IUPAC name of 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione (CID 159644894) is 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione.
What is the SMILES notation for 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione?
The canonical SMILES for 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione is CC1=CCC(=S)O1.Cc1c[nH]c(=S)o1.
What is the InChIKey of 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione?
The InChIKey is MQVFPXNKNHOGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.C4H5NOS/c1-4-2-3-5(7)6-4;1-3-2-5-4(7)6-3/h2H,3H2,1H3;2H,1H3,(H,5,7).
What are the key properties of 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione?
5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione has a molecular weight of 229.33 g/mol, XLogP of 3.28, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3H-furan-2-thione;5-methyl-3H-1,3-oxazole-2-thione is sourced from PubChem (CID 159644894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).