(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol

C5H8FNS — CID 89215648

IUPAC(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol
SMILESN/C=C\C(S)=C/CF
InChIInChI=1S/C5H8FNS/c6-3-1-5(8)2-4-7/h1-2,4,8H,3,7H2/b4-2-,5-1+
InChIKeyADYWRMLNBPMLPM-OVNQPXIVSA-N
MW133.19 g/mol
LogP1.24
Rot. Bonds2

About (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol

(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol (PubChem CID 89215648) has the molecular formula C5H8FNS and a molecular weight of 133.19 g/mol. Its IUPAC name is (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol.

Molecular Properties

Compound Name(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol
PubChem CID89215648
Molecular FormulaC5H8FNS
Molecular Weight133.19 g/mol
Exact Mass133.04
IUPAC Name(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol
SMILESN/C=C\C(S)=C/CF
InChIInChI=1S/C5H8FNS/c6-3-1-5(8)2-4-7/h1-2,4,8H,3,7H2/b4-2-,5-1+
InChIKeyADYWRMLNBPMLPM-OVNQPXIVSA-N
XLogP1.24
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 51.24
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 (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol?
The IUPAC name of (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol (CID 89215648) is (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol.
What is the SMILES notation for (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol?
The canonical SMILES for (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol is N/C=C\C(S)=C/CF.
What is the InChIKey of (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol?
The InChIKey is ADYWRMLNBPMLPM-OVNQPXIVSA-N. The full InChI is InChI=1S/C5H8FNS/c6-3-1-5(8)2-4-7/h1-2,4,8H,3,7H2/b4-2-,5-1+.
What are the key properties of (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol?
(1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol has a molecular weight of 133.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-1-amino-5-fluoropenta-1,3-diene-3-thiol is sourced from PubChem (CID 89215648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).