decane-1,10-dithiol

C10H22S2 — CID 14494

IUPACdecane-1,10-dithiol
SMILESSCCCCCCCCCCS
InChIInChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKeyUOQACRNTVQWTFF-UHFFFAOYSA-N
MW206.42 g/mol
LogP3.97
Rot. Bonds9

About decane-1,10-dithiol

decane-1,10-dithiol (PubChem CID 14494) has the molecular formula C10H22S2 and a molecular weight of 206.42 g/mol. Its IUPAC name is decane-1,10-dithiol.

Molecular Properties

Compound Namedecane-1,10-dithiol
PubChem CID14494
Molecular FormulaC10H22S2
Molecular Weight206.42 g/mol
Exact Mass206.12
IUPAC Namedecane-1,10-dithiol
SMILESSCCCCCCCCCCS
InChIInChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2
InChIKeyUOQACRNTVQWTFF-UHFFFAOYSA-N
XLogP3.97
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.42
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of decane-1,10-dithiol?
The IUPAC name of decane-1,10-dithiol (CID 14494) is decane-1,10-dithiol.
What is the SMILES notation for decane-1,10-dithiol?
The canonical SMILES for decane-1,10-dithiol is SCCCCCCCCCCS.
What is the InChIKey of decane-1,10-dithiol?
The InChIKey is UOQACRNTVQWTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22S2/c11-9-7-5-3-1-2-4-6-8-10-12/h11-12H,1-10H2.
What are the key properties of decane-1,10-dithiol?
decane-1,10-dithiol has a molecular weight of 206.42 g/mol, XLogP of 3.97, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decane-1,10-dithiol is sourced from PubChem (CID 14494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).