hexa-1,5-diene-3,4-dithiol

C6H10S2 — CID 46835320

IUPAChexa-1,5-diene-3,4-dithiol
SMILESC=CC(S)C(S)C=C
InChIInChI=1S/C6H10S2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
InChIKeyWHSNQWMIYBTVHE-UHFFFAOYSA-N
MW146.28 g/mol
LogP1.96
Rot. Bonds3

About hexa-1,5-diene-3,4-dithiol

hexa-1,5-diene-3,4-dithiol (PubChem CID 46835320) has the molecular formula C6H10S2 and a molecular weight of 146.28 g/mol. Its IUPAC name is hexa-1,5-diene-3,4-dithiol.

Molecular Properties

Compound Namehexa-1,5-diene-3,4-dithiol
PubChem CID46835320
Molecular FormulaC6H10S2
Molecular Weight146.28 g/mol
Exact Mass146.02
IUPAC Namehexa-1,5-diene-3,4-dithiol
SMILESC=CC(S)C(S)C=C
InChIInChI=1S/C6H10S2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2
InChIKeyWHSNQWMIYBTVHE-UHFFFAOYSA-N
XLogP1.96
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.28
LogP ≤ 51.96
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

3-Vinyl-4H-1,2-dithiin
CID 150636
4-[(But-3-en-1-yl)disulfanyl]but-1-ene
CID 71393173
6-(Hex-5-enyldisulfanyl)hex-1-ene
CID 57200305
3-Ethyl-1,2-dithi-5-ene
CID 6430025
3-Butene-1-thiol
CID 4713209
Butenethiol
CID 19883204
Hexa-1,5-dienyl trisulfide
CID 157009856
Pent-4-ene-1-thiol
CID 12575094
Hex-5-ene-2-thiol
CID 12575095
5-Hexenethiol
CID 14556526
Hexa-1,5-diene-3-thiol
CID 15796217
Dihydrodithiepin
CID 18758512

Frequently Asked Questions

What is the IUPAC name of hexa-1,5-diene-3,4-dithiol?
The IUPAC name of hexa-1,5-diene-3,4-dithiol (CID 46835320) is hexa-1,5-diene-3,4-dithiol.
What is the SMILES notation for hexa-1,5-diene-3,4-dithiol?
The canonical SMILES for hexa-1,5-diene-3,4-dithiol is C=CC(S)C(S)C=C.
What is the InChIKey of hexa-1,5-diene-3,4-dithiol?
The InChIKey is WHSNQWMIYBTVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10S2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2.
What are the key properties of hexa-1,5-diene-3,4-dithiol?
hexa-1,5-diene-3,4-dithiol has a molecular weight of 146.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexa-1,5-diene-3,4-dithiol is sourced from PubChem (CID 46835320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).