nonane-2,6-dithiol

C9H20S2 — CID 20551714

IUPACnonane-2,6-dithiol
SMILESCCCC(S)CCCC(C)S
InChIInChI=1S/C9H20S2/c1-3-5-9(11)7-4-6-8(2)10/h8-11H,3-7H2,1-2H3
InChIKeyMWSUJCXDXAUTSS-UHFFFAOYSA-N
MW192.39 g/mol
LogP3.57
Rot. Bonds6

About nonane-2,6-dithiol

nonane-2,6-dithiol (PubChem CID 20551714) has the molecular formula C9H20S2 and a molecular weight of 192.39 g/mol. Its IUPAC name is nonane-2,6-dithiol.

Molecular Properties

Compound Namenonane-2,6-dithiol
PubChem CID20551714
Molecular FormulaC9H20S2
Molecular Weight192.39 g/mol
Exact Mass192.10
IUPAC Namenonane-2,6-dithiol
SMILESCCCC(S)CCCC(C)S
InChIInChI=1S/C9H20S2/c1-3-5-9(11)7-4-6-8(2)10/h8-11H,3-7H2,1-2H3
InChIKeyMWSUJCXDXAUTSS-UHFFFAOYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

heptane-4-thiol
CID 12627260
tridecane-2,12-dithiol
CID 118018691
dodecane-6-thiol
CID 18757094
6-ethylundecane-2-thiol
CID 90847746
nonane-1,8-dithiol
CID 151049978
tetratriacontane-1,17-dithiol
CID 57207387
1-(18F)fluoropentane-2-thiol
CID 11701036
undecane-1,4,8,11-tetrathiol
CID 57041789
5-sulfanylhexadecane-1,1-diol
CID 57290183
5-methylnonane-2,6-dithiol
CID 130311587
(3S)-3-sulfanylheptan-1-ol
CID 86617942
2-aminotridecane-5-thiol
CID 90833565

Frequently Asked Questions

What is the IUPAC name of nonane-2,6-dithiol?
The IUPAC name of nonane-2,6-dithiol (CID 20551714) is nonane-2,6-dithiol.
What is the SMILES notation for nonane-2,6-dithiol?
The canonical SMILES for nonane-2,6-dithiol is CCCC(S)CCCC(C)S.
What is the InChIKey of nonane-2,6-dithiol?
The InChIKey is MWSUJCXDXAUTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S2/c1-3-5-9(11)7-4-6-8(2)10/h8-11H,3-7H2,1-2H3.
What are the key properties of nonane-2,6-dithiol?
nonane-2,6-dithiol has a molecular weight of 192.39 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-2,6-dithiol is sourced from PubChem (CID 20551714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).