nonane-1,8-dithiol

C9H20S2 — CID 151049978

IUPACnonane-1,8-dithiol
SMILESCC(S)CCCCCCCS
InChIInChI=1S/C9H20S2/c1-9(11)7-5-3-2-4-6-8-10/h9-11H,2-8H2,1H3
InChIKeyMDXHOSRDMJQQEV-UHFFFAOYSA-N
MW192.39 g/mol
LogP3.58
Rot. Bonds7

About nonane-1,8-dithiol

nonane-1,8-dithiol (PubChem CID 151049978) has the molecular formula C9H20S2 and a molecular weight of 192.39 g/mol. Its IUPAC name is nonane-1,8-dithiol.

Molecular Properties

Compound Namenonane-1,8-dithiol
PubChem CID151049978
Molecular FormulaC9H20S2
Molecular Weight192.39 g/mol
Exact Mass192.10
IUPAC Namenonane-1,8-dithiol
SMILESCC(S)CCCCCCCS
InChIInChI=1S/C9H20S2/c1-9(11)7-5-3-2-4-6-8-10/h9-11H,2-8H2,1H3
InChIKeyMDXHOSRDMJQQEV-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.39
LogP ≤ 53.58
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'}

Analyze nonane-1,8-dithiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tridecane-2,12-dithiol
CID 118018691
10-methylundecane-1-thiol
CID 18538216
5-methylhexane-1-thiol
CID 18699074
butane-1,3-dithiol
CID 520119
tetratriacontane-1,17-dithiol
CID 57207387
10-amino-9-methyldecane-1-thiol
CID 87559449
octatriacontane-1,38-dithiol
CID 154319638
tetracosane-1,24-dithiol
CID 87293915
6-ethylundecane-2-thiol
CID 90847746
2,8-bis(sulfanyl)octanoate
CID 23298468
nonane-2,6-dithiol
CID 20551714
5-pentyldodecane-1-thiol
CID 57231870

Frequently Asked Questions

What is the IUPAC name of nonane-1,8-dithiol?
The IUPAC name of nonane-1,8-dithiol (CID 151049978) is nonane-1,8-dithiol.
What is the SMILES notation for nonane-1,8-dithiol?
The canonical SMILES for nonane-1,8-dithiol is CC(S)CCCCCCCS.
What is the InChIKey of nonane-1,8-dithiol?
The InChIKey is MDXHOSRDMJQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20S2/c1-9(11)7-5-3-2-4-6-8-10/h9-11H,2-8H2,1H3.
What are the key properties of nonane-1,8-dithiol?
nonane-1,8-dithiol has a molecular weight of 192.39 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,8-dithiol is sourced from PubChem (CID 151049978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).