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

C8H14O2S2 — CID 3884409

IUPAC4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCSC1=CS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S2/c1-2-3-5-11-8-4-6-12(9,10)7-8/h7H,2-6H2,1H3
InChIKeyHKPCMRPNSKINHP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.18
Rot. Bonds4

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

4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (PubChem CID 3884409) has the molecular formula C8H14O2S2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.

Molecular Properties

Compound Name4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
PubChem CID3884409
Molecular FormulaC8H14O2S2
Molecular Weight206.33 g/mol
Exact Mass206.04
IUPAC Name4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
SMILESCCCCSC1=CS(=O)(=O)CC1
InChIInChI=1S/C8H14O2S2/c1-2-3-5-11-8-4-6-12(9,10)7-8/h7H,2-6H2,1H3
InChIKeyHKPCMRPNSKINHP-UHFFFAOYSA-N
XLogP2.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The IUPAC name of 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide (CID 3884409) is 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide.
What is the SMILES notation for 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The canonical SMILES for 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is CCCCSC1=CS(=O)(=O)CC1.
What is the InChIKey of 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
The InChIKey is HKPCMRPNSKINHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2S2/c1-2-3-5-11-8-4-6-12(9,10)7-8/h7H,2-6H2,1H3.
What are the key properties of 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide?
4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide has a molecular weight of 206.33 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butylsulfanyl-2,3-dihydrothiophene 1,1-dioxide is sourced from PubChem (CID 3884409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).