ethane;thiepane 1,1-dioxide

C8H18O2S — CID 91582088

IUPACethane;thiepane 1,1-dioxide
SMILESCC.O=S1(=O)CCCCCC1
InChIInChI=1S/C6H12O2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h1-6H2;1-2H3
InChIKeyVGVBXPSCZBNOOY-UHFFFAOYSA-N
MW178.30 g/mol
LogP2.00
Rot. Bonds

About ethane;thiepane 1,1-dioxide

ethane;thiepane 1,1-dioxide (PubChem CID 91582088) has the molecular formula C8H18O2S and a molecular weight of 178.30 g/mol. Its IUPAC name is ethane;thiepane 1,1-dioxide.

Molecular Properties

Compound Nameethane;thiepane 1,1-dioxide
PubChem CID91582088
Molecular FormulaC8H18O2S
Molecular Weight178.30 g/mol
Exact Mass178.10
IUPAC Nameethane;thiepane 1,1-dioxide
SMILESCC.O=S1(=O)CCCCCC1
InChIInChI=1S/C6H12O2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h1-6H2;1-2H3
InChIKeyVGVBXPSCZBNOOY-UHFFFAOYSA-N
XLogP2.00
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;thiepane 1,1-dioxide?
The IUPAC name of ethane;thiepane 1,1-dioxide (CID 91582088) is ethane;thiepane 1,1-dioxide.
What is the SMILES notation for ethane;thiepane 1,1-dioxide?
The canonical SMILES for ethane;thiepane 1,1-dioxide is CC.O=S1(=O)CCCCCC1.
What is the InChIKey of ethane;thiepane 1,1-dioxide?
The InChIKey is VGVBXPSCZBNOOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2S.C2H6/c7-9(8)5-3-1-2-4-6-9;1-2/h1-6H2;1-2H3.
What are the key properties of ethane;thiepane 1,1-dioxide?
ethane;thiepane 1,1-dioxide has a molecular weight of 178.30 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;thiepane 1,1-dioxide is sourced from PubChem (CID 91582088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).