dithiolane;propane-1,3-dithiol

C6H14S4 — CID 143978807

IUPACdithiolane;propane-1,3-dithiol
SMILESC1CSSC1.SCCCS
InChIInChI=1S/C3H6S2.C3H8S2/c1-2-4-5-3-1;4-2-1-3-5/h1-3H2;4-5H,1-3H2
InChIKeyRLVBRCKYBYBETI-UHFFFAOYSA-N
MW214.45 g/mol
LogP3.01
Rot. Bonds2

About dithiolane;propane-1,3-dithiol

dithiolane;propane-1,3-dithiol (PubChem CID 143978807) has the molecular formula C6H14S4 and a molecular weight of 214.45 g/mol. Its IUPAC name is dithiolane;propane-1,3-dithiol.

Molecular Properties

Compound Namedithiolane;propane-1,3-dithiol
PubChem CID143978807
Molecular FormulaC6H14S4
Molecular Weight214.45 g/mol
Exact Mass214.00
IUPAC Namedithiolane;propane-1,3-dithiol
SMILESC1CSSC1.SCCCS
InChIInChI=1S/C3H6S2.C3H8S2/c1-2-4-5-3-1;4-2-1-3-5/h1-3H2;4-5H,1-3H2
InChIKeyRLVBRCKYBYBETI-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dithiolane;propane-1,3-dithiol?
The IUPAC name of dithiolane;propane-1,3-dithiol (CID 143978807) is dithiolane;propane-1,3-dithiol.
What is the SMILES notation for dithiolane;propane-1,3-dithiol?
The canonical SMILES for dithiolane;propane-1,3-dithiol is C1CSSC1.SCCCS.
What is the InChIKey of dithiolane;propane-1,3-dithiol?
The InChIKey is RLVBRCKYBYBETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6S2.C3H8S2/c1-2-4-5-3-1;4-2-1-3-5/h1-3H2;4-5H,1-3H2.
What are the key properties of dithiolane;propane-1,3-dithiol?
dithiolane;propane-1,3-dithiol has a molecular weight of 214.45 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dithiolane;propane-1,3-dithiol is sourced from PubChem (CID 143978807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).