ethane;2-methyl-1,3-dithiolane

C8H20S2 — CID 142062825

IUPACethane;2-methyl-1,3-dithiolane
SMILESCC.CC.CC1SCCS1
InChIInChI=1S/C4H8S2.2C2H6/c1-4-5-2-3-6-4;2*1-2/h4H,2-3H2,1H3;2*1-2H3
InChIKeyAIWNCYUHLJDBED-UHFFFAOYSA-N
MW180.38 g/mol
LogP3.86
Rot. Bonds

About ethane;2-methyl-1,3-dithiolane

ethane;2-methyl-1,3-dithiolane (PubChem CID 142062825) has the molecular formula C8H20S2 and a molecular weight of 180.38 g/mol. Its IUPAC name is ethane;2-methyl-1,3-dithiolane.

Molecular Properties

Compound Nameethane;2-methyl-1,3-dithiolane
PubChem CID142062825
Molecular FormulaC8H20S2
Molecular Weight180.38 g/mol
Exact Mass180.10
IUPAC Nameethane;2-methyl-1,3-dithiolane
SMILESCC.CC.CC1SCCS1
InChIInChI=1S/C4H8S2.2C2H6/c1-4-5-2-3-6-4;2*1-2/h4H,2-3H2,1H3;2*1-2H3
InChIKeyAIWNCYUHLJDBED-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.38
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-1,3-dithiolane?
The IUPAC name of ethane;2-methyl-1,3-dithiolane (CID 142062825) is ethane;2-methyl-1,3-dithiolane.
What is the SMILES notation for ethane;2-methyl-1,3-dithiolane?
The canonical SMILES for ethane;2-methyl-1,3-dithiolane is CC.CC.CC1SCCS1.
What is the InChIKey of ethane;2-methyl-1,3-dithiolane?
The InChIKey is AIWNCYUHLJDBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8S2.2C2H6/c1-4-5-2-3-6-4;2*1-2/h4H,2-3H2,1H3;2*1-2H3.
What are the key properties of ethane;2-methyl-1,3-dithiolane?
ethane;2-methyl-1,3-dithiolane has a molecular weight of 180.38 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-1,3-dithiolane is sourced from PubChem (CID 142062825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).