dithiane;ethane

C6H14S2 — CID 87555342

IUPACdithiane;ethane
SMILESC1CCSSC1.CC
InChIInChI=1S/C4H8S2.C2H6/c1-2-4-6-5-3-1;1-2/h1-4H2;1-2H3
InChIKeyVMODLJIJTHCPDP-UHFFFAOYSA-N
MW150.31 g/mol
LogP3.19
Rot. Bonds

About dithiane;ethane

dithiane;ethane (PubChem CID 87555342) has the molecular formula C6H14S2 and a molecular weight of 150.31 g/mol. Its IUPAC name is dithiane;ethane.

Molecular Properties

Compound Namedithiane;ethane
PubChem CID87555342
Molecular FormulaC6H14S2
Molecular Weight150.31 g/mol
Exact Mass150.05
IUPAC Namedithiane;ethane
SMILESC1CCSSC1.CC
InChIInChI=1S/C4H8S2.C2H6/c1-2-4-6-5-3-1;1-2/h1-4H2;1-2H3
InChIKeyVMODLJIJTHCPDP-UHFFFAOYSA-N
XLogP3.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.31
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dithiane;ethane?
The IUPAC name of dithiane;ethane (CID 87555342) is dithiane;ethane.
What is the SMILES notation for dithiane;ethane?
The canonical SMILES for dithiane;ethane is C1CCSSC1.CC.
What is the InChIKey of dithiane;ethane?
The InChIKey is VMODLJIJTHCPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2.C2H6/c1-2-4-6-5-3-1;1-2/h1-4H2;1-2H3.
What are the key properties of dithiane;ethane?
dithiane;ethane has a molecular weight of 150.31 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dithiane;ethane is sourced from PubChem (CID 87555342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).