(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol

C5H8FNS — CID 167239417

IUPAC(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol
SMILESC/C(S)=C(F)\C=C/N
InChIInChI=1S/C5H8FNS/c1-4(8)5(6)2-3-7/h2-3,8H,7H2,1H3/b3-2-,5-4-
InChIKeyIWTUAJMACBBCJV-LDIADDGTSA-N
MW133.19 g/mol
LogP1.59
Rot. Bonds1

About (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol

(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol (PubChem CID 167239417) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol.

Molecular Properties

Compound Name(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol
PubChem CID167239417
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol
SMILESC/C(S)=C(F)\C=C/N
InChIInChI=1S/C5H8FNS/c1-4(8)5(6)2-3-7/h2-3,8H,7H2,1H3/b3-2-,5-4-
InChIKeyIWTUAJMACBBCJV-LDIADDGTSA-N
XLogP1.59
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol?
The IUPAC name of (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol (CID 167239417) is (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol.
What is the SMILES notation for (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol?
The canonical SMILES for (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol is C/C(S)=C(F)\C=C/N.
What is the InChIKey of (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol?
The InChIKey is IWTUAJMACBBCJV-LDIADDGTSA-N. The full InChI is InChI=1S/C5H8FNS/c1-4(8)5(6)2-3-7/h2-3,8H,7H2,1H3/b3-2-,5-4-.
What are the key properties of (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol?
(2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol has a molecular weight of 133.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-5-amino-3-fluoropenta-2,4-diene-2-thiol is sourced from PubChem (CID 167239417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).