thiane

C20H40S4 — CID 70180368

IUPACthiane
SMILESC1CCSCC1.C1CCSCC1.C1CCSCC1.C1CCSCC1
InChIInChI=1S/4C5H10S/c4*1-2-4-6-5-3-1/h4*1-5H2
InChIKeyDBULCSSLLXEFOY-UHFFFAOYSA-N
MW408.81 g/mol
LogP7.61
Rot. Bonds

About thiane

thiane (PubChem CID 70180368) has the molecular formula C20H40S4 and a molecular weight of 408.81 g/mol. Its IUPAC name is thiane.

Molecular Properties

Compound Namethiane
PubChem CID70180368
Molecular FormulaC20H40S4
Molecular Weight408.81 g/mol
Exact Mass408.20
IUPAC Namethiane
SMILESC1CCSCC1.C1CCSCC1.C1CCSCC1.C1CCSCC1
InChIInChI=1S/4C5H10S/c4*1-2-4-6-5-3-1/h4*1-5H2
InChIKeyDBULCSSLLXEFOY-UHFFFAOYSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.81
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thiane?
The IUPAC name of thiane (CID 70180368) is thiane.
What is the SMILES notation for thiane?
The canonical SMILES for thiane is C1CCSCC1.C1CCSCC1.C1CCSCC1.C1CCSCC1.
What is the InChIKey of thiane?
The InChIKey is DBULCSSLLXEFOY-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H10S/c4*1-2-4-6-5-3-1/h4*1-5H2.
What are the key properties of thiane?
thiane has a molecular weight of 408.81 g/mol, XLogP of 7.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thiane is sourced from PubChem (CID 70180368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).