non-1-ene-1,1-dithiol

C9H18S2 — CID 143285888

IUPACnon-1-ene-1,1-dithiol
SMILESCCCCCCCC=C(S)S
InChIInChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9(10)11/h8,10-11H,2-7H2,1H3
InChIKeySEJBHTNEEHHXGK-UHFFFAOYSA-N
MW190.38 g/mol
LogP4.05
Rot. Bonds6

About non-1-ene-1,1-dithiol

non-1-ene-1,1-dithiol (PubChem CID 143285888) has the molecular formula C9H18S2 and a molecular weight of 190.38 g/mol. Its IUPAC name is non-1-ene-1,1-dithiol.

Molecular Properties

Compound Namenon-1-ene-1,1-dithiol
PubChem CID143285888
Molecular FormulaC9H18S2
Molecular Weight190.38 g/mol
Exact Mass190.08
IUPAC Namenon-1-ene-1,1-dithiol
SMILESCCCCCCCC=C(S)S
InChIInChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9(10)11/h8,10-11H,2-7H2,1H3
InChIKeySEJBHTNEEHHXGK-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.38
LogP ≤ 54.05
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 non-1-ene-1,1-dithiol?
The IUPAC name of non-1-ene-1,1-dithiol (CID 143285888) is non-1-ene-1,1-dithiol.
What is the SMILES notation for non-1-ene-1,1-dithiol?
The canonical SMILES for non-1-ene-1,1-dithiol is CCCCCCCC=C(S)S.
What is the InChIKey of non-1-ene-1,1-dithiol?
The InChIKey is SEJBHTNEEHHXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18S2/c1-2-3-4-5-6-7-8-9(10)11/h8,10-11H,2-7H2,1H3.
What are the key properties of non-1-ene-1,1-dithiol?
non-1-ene-1,1-dithiol has a molecular weight of 190.38 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for non-1-ene-1,1-dithiol is sourced from PubChem (CID 143285888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).