3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide

C5H7OS- — CID 154603715

IUPAC3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
SMILES[2H]C1C=[C-]OC1SC
InChIInChI=1S/C5H7OS/c1-7-5-3-2-4-6-5/h2,5H,3H2,1H3/q-1/i3D
InChIKeyHGAPDROBNYUFEC-WFVSFCRTSA-N
MW116.18 g/mol
LogP1.41
Rot. Bonds1

About 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide

3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide (PubChem CID 154603715) has the molecular formula C5H7OS- and a molecular weight of 116.18 g/mol. Its IUPAC name is 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide.

Molecular Properties

Compound Name3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
PubChem CID154603715
Molecular FormulaC5H7OS-
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
SMILES[2H]C1C=[C-]OC1SC
InChIInChI=1S/C5H7OS/c1-7-5-3-2-4-6-5/h2,5H,3H2,1H3/q-1/i3D
InChIKeyHGAPDROBNYUFEC-WFVSFCRTSA-N
XLogP1.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-Dihydrofuranyl ethyl sulfide
CID 129671338
2-Methoxy-2,3-dihydrothiophene
CID 18975119
2-Methylsulfanyl-2,3-dihydrofuran
CID 66827287
4-Ethyl-1,3-oxathiole
CID 68258214
3-Methylsulfanyl-2,3-dihydrofuran
CID 123921746
3-Methyl-2-methylsulfanyl-2,3-dihydrofuran
CID 126520471
5-Ethoxy-2,3-dihydrothiophene
CID 141120797
3-Deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate
CID 154603674
2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide
CID 154603690
CID 154603744
CID 154603744
2-Methylsulfanyl-2,3-dihydrofuran-4-olate
CID 154603750
4-Methylsulfanyl-2,3-dihydrofuran
CID 154990187

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide?
The IUPAC name of 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide (CID 154603715) is 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide.
What is the SMILES notation for 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide?
The canonical SMILES for 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide is [2H]C1C=[C-]OC1SC.
What is the InChIKey of 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide?
The InChIKey is HGAPDROBNYUFEC-WFVSFCRTSA-N. The full InChI is InChI=1S/C5H7OS/c1-7-5-3-2-4-6-5/h2,5H,3H2,1H3/q-1/i3D.
What are the key properties of 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide?
3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide has a molecular weight of 116.18 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2-methylsulfanyl-3,5-dihydro-2H-furan-5-ide is sourced from PubChem (CID 154603715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).