(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol

C7H9FS — CID 143402378

IUPAC(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol
SMILESC=C/C(F)=C(S)\C=C/C
InChIInChI=1S/C7H9FS/c1-3-5-7(9)6(8)4-2/h3-5,9H,2H2,1H3/b5-3-,7-6-
InChIKeyZNCXVQQWTRYMEE-VKLRWAGZSA-N
MW144.21 g/mol
LogP2.86
Rot. Bonds2

About (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol

(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol (PubChem CID 143402378) has the molecular formula C7H9FS and a molecular weight of 144.21 g/mol. Its IUPAC name is (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol.

Molecular Properties

Compound Name(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol
PubChem CID143402378
Molecular FormulaC7H9FS
Molecular Weight144.21 g/mol
Exact Mass144.04
IUPAC Name(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol
SMILESC=C/C(F)=C(S)\C=C/C
InChIInChI=1S/C7H9FS/c1-3-5-7(9)6(8)4-2/h3-5,9H,2H2,1H3/b5-3-,7-6-
InChIKeyZNCXVQQWTRYMEE-VKLRWAGZSA-N
XLogP2.86
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.86
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol?
The IUPAC name of (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol (CID 143402378) is (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol.
What is the SMILES notation for (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol?
The canonical SMILES for (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol is C=C/C(F)=C(S)\C=C/C.
What is the InChIKey of (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol?
The InChIKey is ZNCXVQQWTRYMEE-VKLRWAGZSA-N. The full InChI is InChI=1S/C7H9FS/c1-3-5-7(9)6(8)4-2/h3-5,9H,2H2,1H3/b5-3-,7-6-.
What are the key properties of (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol?
(3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol has a molecular weight of 144.21 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-fluorohepta-1,3,5-triene-4-thiol is sourced from PubChem (CID 143402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).