5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine

C7H12OS — CID 20658718

IUPAC5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
SMILESC=S1CCOC(C)=C1C
InChIInChI=1S/C7H12OS/c1-6-7(2)9(3)5-4-8-6/h3-5H2,1-2H3
InChIKeyYELSNFMDWGNNCN-UHFFFAOYSA-N
MW144.24 g/mol
LogP1.97
Rot. Bonds

About 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine

5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine (PubChem CID 20658718) has the molecular formula C7H12OS and a molecular weight of 144.24 g/mol. Its IUPAC name is 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine.

Molecular Properties

Compound Name5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
PubChem CID20658718
Molecular FormulaC7H12OS
Molecular Weight144.24 g/mol
Exact Mass144.06
IUPAC Name5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine
SMILESC=S1CCOC(C)=C1C
InChIInChI=1S/C7H12OS/c1-6-7(2)9(3)5-4-8-6/h3-5H2,1-2H3
InChIKeyYELSNFMDWGNNCN-UHFFFAOYSA-N
XLogP1.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-iodo-5-methyl-2,3-dihydrofuran
CID 53376968
5,6-dimethyl-2,3-dihydro-1,4-dioxine;4,5-dimethyl-1,3-dioxole
CID 158529297
5,6-dimethyl-2,3-dihydro-1,4-oxaselenine
CID 164804759
4,5-dimethyl-1,3-dioxole
CID 13058524
5-methyl-3-methylidene-1,3,4-oxathiazole
CID 87158142
6,7-dimethyl-2,3,4,5-tetrahydro-1,4-oxazepine
CID 90942786
5-bromo-6-methyl-2,3-dihydropyran-4-one
CID 10774061
6-methyl-5-(trifluoromethyl)-2,3-dihydro-1,4-oxathiine
CID 22980776
N,5,6-trimethyl-3,4-dihydro-2H-pyran-4-amine
CID 118348558
dimethyl 4-oxo-2,3-dihydro-1,4-oxathiine-5,6-dicarboxylate
CID 10857364
4,5,6-trimethyl-4-(trifluoromethyl)-2,3-dihydropyran
CID 67968794
(2S,3R,6Z)-2,3,6,7-tetramethyl-1,4,8-trioxacycloundec-6-ene
CID 171575829

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine?
The IUPAC name of 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine (CID 20658718) is 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine.
What is the SMILES notation for 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine?
The canonical SMILES for 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine is C=S1CCOC(C)=C1C.
What is the InChIKey of 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine?
The InChIKey is YELSNFMDWGNNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12OS/c1-6-7(2)9(3)5-4-8-6/h3-5H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine?
5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine has a molecular weight of 144.24 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-methylidene-2,3-dihydro-1,4-oxathiine is sourced from PubChem (CID 20658718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).