ethane;(2Z,4E)-hexa-2,4-diene-2-thiol

C8H16S — CID 143240532

IUPACethane;(2Z,4E)-hexa-2,4-diene-2-thiol
SMILESC/C=C/C=C(/C)S.CC
InChIInChI=1S/C6H10S.C2H6/c1-3-4-5-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3+,6-5-;
InChIKeyVJIXEAVIRSDBBX-SFXPHMRKSA-N
MW144.28 g/mol
LogP3.42
Rot. Bonds1

About ethane;(2Z,4E)-hexa-2,4-diene-2-thiol

ethane;(2Z,4E)-hexa-2,4-diene-2-thiol (PubChem CID 143240532) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is ethane;(2Z,4E)-hexa-2,4-diene-2-thiol.

Molecular Properties

Compound Nameethane;(2Z,4E)-hexa-2,4-diene-2-thiol
PubChem CID143240532
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Nameethane;(2Z,4E)-hexa-2,4-diene-2-thiol
SMILESC/C=C/C=C(/C)S.CC
InChIInChI=1S/C6H10S.C2H6/c1-3-4-5-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3+,6-5-;
InChIKeyVJIXEAVIRSDBBX-SFXPHMRKSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,4Z)-hexa-2,4-diene-2-thiol;toluene
CID 142555461
(2Z,4E)-5-aminopenta-2,4-diene-2-thiol
CID 89363639
(2E,4E,6Z)-3,4-dimethylocta-2,4,6-triene
CID 91748402
ethane;(2Z,4Z)-hexa-2,4-diene
CID 90738434
(3E,5Z)-3-chloro-2-methylhepta-1,3,5-triene;ethane
CID 145128135
(2Z,4Z)-N-methylhexa-2,4-dien-2-amine
CID 89105834
(2E,4Z)-N,N-dimethylhexa-2,4-dien-2-amine
CID 59881286
(2Z,4E)-N-methylhexa-2,4-dien-2-amine
CID 142249043
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
ethane;(4Z)-2-methylhexa-2,4-diene;nitromethane
CID 142945468
ethane;(4E,6Z)-4-methylocta-1,4,6-triene
CID 142893307
ethane;(3Z,5Z,7Z)-5-methylnona-1,3,5,7-tetraene
CID 143014542

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E)-hexa-2,4-diene-2-thiol?
The IUPAC name of ethane;(2Z,4E)-hexa-2,4-diene-2-thiol (CID 143240532) is ethane;(2Z,4E)-hexa-2,4-diene-2-thiol.
What is the SMILES notation for ethane;(2Z,4E)-hexa-2,4-diene-2-thiol?
The canonical SMILES for ethane;(2Z,4E)-hexa-2,4-diene-2-thiol is C/C=C/C=C(/C)S.CC.
What is the InChIKey of ethane;(2Z,4E)-hexa-2,4-diene-2-thiol?
The InChIKey is VJIXEAVIRSDBBX-SFXPHMRKSA-N. The full InChI is InChI=1S/C6H10S.C2H6/c1-3-4-5-6(2)7;1-2/h3-5,7H,1-2H3;1-2H3/b4-3+,6-5-;.
What are the key properties of ethane;(2Z,4E)-hexa-2,4-diene-2-thiol?
ethane;(2Z,4E)-hexa-2,4-diene-2-thiol has a molecular weight of 144.28 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E)-hexa-2,4-diene-2-thiol is sourced from PubChem (CID 143240532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).