4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide

C5H8O2S2 — CID 13071993

IUPAC4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCSC1=CS(=O)(=O)CC1
InChIInChI=1S/C5H8O2S2/c1-8-5-2-3-9(6,7)4-5/h4H,2-3H2,1H3
InChIKeyCJSZAJWDPLCDKX-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.01
Rot. Bonds1

About 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide

4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 13071993) has the molecular formula C5H8O2S2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID13071993
Molecular FormulaC5H8O2S2
Molecular Weight164.25 g/mol
Exact Mass164.00
IUPAC Name4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCSC1=CS(=O)(=O)CC1
InChIInChI=1S/C5H8O2S2/c1-8-5-2-3-9(6,7)4-5/h4H,2-3H2,1H3
InChIKeyCJSZAJWDPLCDKX-UHFFFAOYSA-N
XLogP1.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (CID 13071993) is 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is CSC1=CS(=O)(=O)CC1.
What is the InChIKey of 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is CJSZAJWDPLCDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2S2/c1-8-5-2-3-9(6,7)4-5/h4H,2-3H2,1H3.
What are the key properties of 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 164.25 g/mol, XLogP of 1.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 13071993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).