(3Z)-5-fluorohexa-3,5-diene-2-thione

C6H7FS — CID 123764414

IUPAC(3Z)-5-fluorohexa-3,5-diene-2-thione
SMILESC=C(F)/C=C\C(C)=S
InChIInChI=1S/C6H7FS/c1-5(7)3-4-6(2)8/h3-4H,1H2,2H3/b4-3-
InChIKeyJLBNTOJNRYUKAQ-ARJAWSKDSA-N
MW130.19 g/mol
LogP2.42
Rot. Bonds2

About (3Z)-5-fluorohexa-3,5-diene-2-thione

(3Z)-5-fluorohexa-3,5-diene-2-thione (PubChem CID 123764414) has the molecular formula C6H7FS and a molecular weight of 130.19 g/mol. Its IUPAC name is (3Z)-5-fluorohexa-3,5-diene-2-thione.

Molecular Properties

Compound Name(3Z)-5-fluorohexa-3,5-diene-2-thione
PubChem CID123764414
Molecular FormulaC6H7FS
Molecular Weight130.19 g/mol
Exact Mass130.03
IUPAC Name(3Z)-5-fluorohexa-3,5-diene-2-thione
SMILESC=C(F)/C=C\C(C)=S
InChIInChI=1S/C6H7FS/c1-5(7)3-4-6(2)8/h3-4H,1H2,2H3/b4-3-
InChIKeyJLBNTOJNRYUKAQ-ARJAWSKDSA-N
XLogP2.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (3Z)-5-fluorohexa-3,5-diene-2-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3Z)-5-fluorohexa-3,5-diene-2-thione?
The IUPAC name of (3Z)-5-fluorohexa-3,5-diene-2-thione (CID 123764414) is (3Z)-5-fluorohexa-3,5-diene-2-thione.
What is the SMILES notation for (3Z)-5-fluorohexa-3,5-diene-2-thione?
The canonical SMILES for (3Z)-5-fluorohexa-3,5-diene-2-thione is C=C(F)/C=C\C(C)=S.
What is the InChIKey of (3Z)-5-fluorohexa-3,5-diene-2-thione?
The InChIKey is JLBNTOJNRYUKAQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7FS/c1-5(7)3-4-6(2)8/h3-4H,1H2,2H3/b4-3-.
What are the key properties of (3Z)-5-fluorohexa-3,5-diene-2-thione?
(3Z)-5-fluorohexa-3,5-diene-2-thione has a molecular weight of 130.19 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-fluorohexa-3,5-diene-2-thione is sourced from PubChem (CID 123764414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).