(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol

C7H9FS — CID 155374240

IUPAC(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol
SMILESC=C(S)/C=C\C=C/CF
InChIInChI=1S/C7H9FS/c1-7(9)5-3-2-4-6-8/h2-5,9H,1,6H2/b4-2-,5-3-
InChIKeyGSAMLYPSAKPGQQ-JVLMNHKTSA-N
MW144.21 g/mol
LogP2.51
Rot. Bonds3

About (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol

(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol (PubChem CID 155374240) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol.

Molecular Properties

Compound Name(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol
PubChem CID155374240
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Name(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol
SMILESC=C(S)/C=C\C=C/CF
InChIInChI=1S/C7H9FS/c1-7(9)5-3-2-4-6-8/h2-5,9H,1,6H2/b4-2-,5-3-
InChIKeyGSAMLYPSAKPGQQ-JVLMNHKTSA-N
XLogP2.51
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.51
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

(3Z,5Z)-7-aminohepta-1,3,5-triene-2-thiol
CID 89418541
(3E,5E,7E,9E)-11-fluoroundeca-1,3,5,7,9-pentaene
CID 102100192
(3E)-5-fluoro-2-methylpenta-1,3-diene
CID 54095887
(3Z)-hexa-1,3,5-triene-2-thiol;propa-1,2-diene
CID 144863707
1,1,6-trifluorohexa-2,4-diene
CID 173439953
(3Z,5E)-5-(trifluoromethyl)hepta-1,3,5-triene-2-thiol
CID 88863446
(3Z)-5-(trifluoromethoxy)hexa-1,3,5-triene-2-thiol
CID 142042475
(3Z,5E)-5-chlorohepta-1,3,5-triene-2-thiol
CID 89308104
(3S,4E,6Z)-3-chloro-8-fluoroocta-1,4,6-triene
CID 139541907
ethane;(3Z)-penta-1,3-diene-2-thiol
CID 144844063
ethane;(3Z)-5-methoxyhexa-1,3,5-triene-2-thiol
CID 143643726
(3Z,5Z)-7-fluoro-3-propan-2-ylhepta-1,3,5-triene
CID 129119795

Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol?
The IUPAC name of (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol (CID 155374240) is (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol.
What is the SMILES notation for (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol?
The canonical SMILES for (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol is C=C(S)/C=C\C=C/CF.
What is the InChIKey of (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol?
The InChIKey is GSAMLYPSAKPGQQ-JVLMNHKTSA-N. The full InChI is InChI=1S/C7H9FS/c1-7(9)5-3-2-4-6-8/h2-5,9H,1,6H2/b4-2-,5-3-.
What are the key properties of (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol?
(3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol has a molecular weight of 144.21 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-7-fluorohepta-1,3,5-triene-2-thiol is sourced from PubChem (CID 155374240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).