3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate

C5H7O2S- — CID 154603674

IUPAC3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate
SMILES[2H]C1C([O-])=COC1SC
InChIInChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h3,5-6H,2H2,1H3/p-1/i2D
InChIKeyNCNVHFGIPKLSSF-VMNATFBRSA-M
MW132.18 g/mol
LogP0.30
Rot. Bonds1

About 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate

3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate (PubChem CID 154603674) has the molecular formula C5H7O2S- and a molecular weight of 132.18 g/mol. Its IUPAC name is 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate.

Molecular Properties

Compound Name3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate
PubChem CID154603674
Molecular FormulaC5H7O2S-
Molecular Weight132.18 g/mol
Exact Mass132.02
IUPAC Name3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate
SMILES[2H]C1C([O-])=COC1SC
InChIInChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h3,5-6H,2H2,1H3/p-1/i2D
InChIKeyNCNVHFGIPKLSSF-VMNATFBRSA-M
XLogP0.30
TPSA32.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate?
The IUPAC name of 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate (CID 154603674) is 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate.
What is the SMILES notation for 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate?
The canonical SMILES for 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate is [2H]C1C([O-])=COC1SC.
What is the InChIKey of 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate?
The InChIKey is NCNVHFGIPKLSSF-VMNATFBRSA-M. The full InChI is InChI=1S/C5H8O2S/c1-8-5-2-4(6)3-7-5/h3,5-6H,2H2,1H3/p-1/i2D.
What are the key properties of 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate?
3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate has a molecular weight of 132.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-2-methylsulfanyl-2,3-dihydrofuran-4-olate is sourced from PubChem (CID 154603674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).