octa-1,7-diene-2,6-dithiol

C8H14S2 — CID 150231509

IUPACocta-1,7-diene-2,6-dithiol
SMILESC=CC(S)CCCC(=C)S
InChIInChI=1S/C8H14S2/c1-3-8(10)6-4-5-7(2)9/h3,8-10H,1-2,4-6H2
InChIKeyFVOSZMPEBYVAEJ-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.08
Rot. Bonds5

About octa-1,7-diene-2,6-dithiol

octa-1,7-diene-2,6-dithiol (PubChem CID 150231509) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is octa-1,7-diene-2,6-dithiol.

Molecular Properties

Compound Nameocta-1,7-diene-2,6-dithiol
PubChem CID150231509
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Nameocta-1,7-diene-2,6-dithiol
SMILESC=CC(S)CCCC(=C)S
InChIInChI=1S/C8H14S2/c1-3-8(10)6-4-5-7(2)9/h3,8-10H,1-2,4-6H2
InChIKeyFVOSZMPEBYVAEJ-UHFFFAOYSA-N
XLogP3.08
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

hept-1-ene-3-thiol
CID 56998098
hepta-1,6-diene-2-thiol
CID 150042707
5-trimethylsilylpent-1-ene-3-thiol
CID 154407383
(5E)-hepta-1,5-diene-3-thiol
CID 135193081
3-sulfanylpent-4-enal
CID 88930393
non-1-ene-3,7-diol
CID 22245625
hept-6-ene-1,5-diol
CID 13479548
hepta-1,5,6-triene-2-thiol
CID 89293857
(E)-7-methyl-3-methylideneoct-1-en-1-ol
CID 87164847
4-ethenyloctanedioate
CID 18371106
8-methylnon-1-en-4-one
CID 116659508
(6S,7R)-6,7-dihydroxynon-8-en-2-one
CID 59003863

Frequently Asked Questions

What is the IUPAC name of octa-1,7-diene-2,6-dithiol?
The IUPAC name of octa-1,7-diene-2,6-dithiol (CID 150231509) is octa-1,7-diene-2,6-dithiol.
What is the SMILES notation for octa-1,7-diene-2,6-dithiol?
The canonical SMILES for octa-1,7-diene-2,6-dithiol is C=CC(S)CCCC(=C)S.
What is the InChIKey of octa-1,7-diene-2,6-dithiol?
The InChIKey is FVOSZMPEBYVAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-8(10)6-4-5-7(2)9/h3,8-10H,1-2,4-6H2.
What are the key properties of octa-1,7-diene-2,6-dithiol?
octa-1,7-diene-2,6-dithiol has a molecular weight of 174.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octa-1,7-diene-2,6-dithiol is sourced from PubChem (CID 150231509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).