(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol

C7H13FN2S — CID 89153919

IUPAC(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
SMILESC=C(/C=C\C(C)F)[C@H](S)NN
InChIInChI=1S/C7H13FN2S/c1-5(7(11)10-9)3-4-6(2)8/h3-4,6-7,10-11H,1,9H2,2H3/b4-3-/t6?,7-/m0/s1
InChIKeyAEMGAAAZOKQVOQ-IWNRDSGUSA-N
MW176.26 g/mol
LogP1.18
Rot. Bonds4

About (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol

(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol (PubChem CID 89153919) has the molecular formula C7H13FN2S and a molecular weight of 176.26 g/mol. Its IUPAC name is (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol.

Molecular Properties

Compound Name(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
PubChem CID89153919
Molecular FormulaC7H13FN2S
Molecular Weight176.26 g/mol
Exact Mass176.08
IUPAC Name(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
SMILESC=C(/C=C\C(C)F)[C@H](S)NN
InChIInChI=1S/C7H13FN2S/c1-5(7(11)10-9)3-4-6(2)8/h3-4,6-7,10-11H,1,9H2,2H3/b4-3-/t6?,7-/m0/s1
InChIKeyAEMGAAAZOKQVOQ-IWNRDSGUSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'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 (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The IUPAC name of (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol (CID 89153919) is (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol.
What is the SMILES notation for (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The canonical SMILES for (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol is C=C(/C=C\C(C)F)[C@H](S)NN.
What is the InChIKey of (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The InChIKey is AEMGAAAZOKQVOQ-IWNRDSGUSA-N. The full InChI is InChI=1S/C7H13FN2S/c1-5(7(11)10-9)3-4-6(2)8/h3-4,6-7,10-11H,1,9H2,2H3/b4-3-/t6?,7-/m0/s1.
What are the key properties of (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
(Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol has a molecular weight of 176.26 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-5-fluoro-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol is sourced from PubChem (CID 89153919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).