ethane;3,3,5,5-tetramethyldithiolan-4-ol

C9H20OS2 — CID 164565295

IUPACethane;3,3,5,5-tetramethyldithiolan-4-ol
SMILESCC.CC1(C)SSC(C)(C)C1O
InChIInChI=1S/C7H14OS2.C2H6/c1-6(2)5(8)7(3,4)10-9-6;1-2/h5,8H,1-4H3;1-2H3
InChIKeyCEDSSFNGHJZPGY-UHFFFAOYSA-N
MW208.39 g/mol
LogP3.33
Rot. Bonds

About ethane;3,3,5,5-tetramethyldithiolan-4-ol

ethane;3,3,5,5-tetramethyldithiolan-4-ol (PubChem CID 164565295) has the molecular formula C9H20OS2 and a molecular weight of 208.39 g/mol. Its IUPAC name is ethane;3,3,5,5-tetramethyldithiolan-4-ol.

Molecular Properties

Compound Nameethane;3,3,5,5-tetramethyldithiolan-4-ol
PubChem CID164565295
Molecular FormulaC9H20OS2
Molecular Weight208.39 g/mol
Exact Mass208.10
IUPAC Nameethane;3,3,5,5-tetramethyldithiolan-4-ol
SMILESCC.CC1(C)SSC(C)(C)C1O
InChIInChI=1S/C7H14OS2.C2H6/c1-6(2)5(8)7(3,4)10-9-6;1-2/h5,8H,1-4H3;1-2H3
InChIKeyCEDSSFNGHJZPGY-UHFFFAOYSA-N
XLogP3.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3,3,5,5-tetramethyldithiolan-4-ol?
The IUPAC name of ethane;3,3,5,5-tetramethyldithiolan-4-ol (CID 164565295) is ethane;3,3,5,5-tetramethyldithiolan-4-ol.
What is the SMILES notation for ethane;3,3,5,5-tetramethyldithiolan-4-ol?
The canonical SMILES for ethane;3,3,5,5-tetramethyldithiolan-4-ol is CC.CC1(C)SSC(C)(C)C1O.
What is the InChIKey of ethane;3,3,5,5-tetramethyldithiolan-4-ol?
The InChIKey is CEDSSFNGHJZPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS2.C2H6/c1-6(2)5(8)7(3,4)10-9-6;1-2/h5,8H,1-4H3;1-2H3.
What are the key properties of ethane;3,3,5,5-tetramethyldithiolan-4-ol?
ethane;3,3,5,5-tetramethyldithiolan-4-ol has a molecular weight of 208.39 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3,3,5,5-tetramethyldithiolan-4-ol is sourced from PubChem (CID 164565295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).