(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol

C6H9FS — CID 89233931

IUPAC(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol
SMILESC/C(S)=C\C=C/CF
InChIInChI=1S/C6H9FS/c1-6(8)4-2-3-5-7/h2-4,8H,5H2,1H3/b3-2-,6-4+
InChIKeyKPPWMLLZSACWCA-MGLVMYNNSA-N
MW132.20 g/mol
LogP2.35
Rot. Bonds2

About (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol

(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol (PubChem CID 89233931) has the molecular formula C6H9FS and a molecular weight of 132.20 g/mol. Its IUPAC name is (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol
PubChem CID89233931
Molecular FormulaC6H9FS
Molecular Weight132.20 g/mol
Exact Mass132.04
IUPAC Name(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol
SMILESC/C(S)=C\C=C/CF
InChIInChI=1S/C6H9FS/c1-6(8)4-2-3-5-7/h2-4,8H,5H2,1H3/b3-2-,6-4+
InChIKeyKPPWMLLZSACWCA-MGLVMYNNSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.20
LogP ≤ 52.35
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

(3E,5Z)-7-fluorohepta-1,3,5-triene-4-thiol
CID 89324341
(2E,4E)-3,5-difluorohexa-2,4-diene-2-thiol
CID 89861514
(2Z,4E)-4-fluorohexa-2,4-diene-2-thiol
CID 89861515
(2E,4E)-3,4-difluorohexa-2,4-diene-2-thiol
CID 89876793
(2Z,4Z)-4,5-difluorohexa-2,4-diene-2-thiol
CID 89876796
(2Z,4E)-5-fluorohexa-2,4-diene-2-thiol
CID 118928459
(3E)-3-fluorohexa-1,3,5-triene-2-thiol
CID 141872531
(3E)-2-fluorohexa-1,3,5-triene-3-thiol
CID 142111596
(3E,5E)-6-fluorohepta-1,3,5-triene-3-thiol
CID 142830684
(3E)-4-fluorohexa-1,3,5-triene-2-thiol
CID 143165294
(3Z)-2-fluoro-5-methylsulfanylhexa-1,3,5-triene
CID 143206163
(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol
CID 143402378

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol?
The IUPAC name of (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol (CID 89233931) is (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol.
What is the SMILES notation for (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol?
The canonical SMILES for (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol is C/C(S)=C\C=C/CF.
What is the InChIKey of (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol?
The InChIKey is KPPWMLLZSACWCA-MGLVMYNNSA-N. The full InChI is InChI=1S/C6H9FS/c1-6(8)4-2-3-5-7/h2-4,8H,5H2,1H3/b3-2-,6-4+.
What are the key properties of (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol?
(2E,4Z)-6-fluorohexa-2,4-diene-2-thiol has a molecular weight of 132.20 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-fluorohexa-2,4-diene-2-thiol is sourced from PubChem (CID 89233931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).