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

C7H14N2S — CID 89256461

IUPAC(Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
SMILESC=C(/C=C\CC)[C@H](S)NN
InChIInChI=1S/C7H14N2S/c1-3-4-5-6(2)7(10)9-8/h4-5,7,9-10H,2-3,8H2,1H3/b5-4-/t7-/m0/s1
InChIKeySHDBWJJGXJYFRE-MJSGSUOKSA-N
MW158.27 g/mol
LogP1.23
Rot. Bonds4

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

(Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol (PubChem CID 89256461) has the molecular formula C7H14N2S and a molecular weight of 158.27 g/mol. Its IUPAC name is (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol.

Molecular Properties

Compound Name(Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
PubChem CID89256461
Molecular FormulaC7H14N2S
Molecular Weight158.27 g/mol
Exact Mass158.09
IUPAC Name(Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol
SMILESC=C(/C=C\CC)[C@H](S)NN
InChIInChI=1S/C7H14N2S/c1-3-4-5-6(2)7(10)9-8/h4-5,7,9-10H,2-3,8H2,1H3/b5-4-/t7-/m0/s1
InChIKeySHDBWJJGXJYFRE-MJSGSUOKSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 51.23
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)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The IUPAC name of (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol (CID 89256461) is (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol.
What is the SMILES notation for (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The canonical SMILES for (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol is C=C(/C=C\CC)[C@H](S)NN.
What is the InChIKey of (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
The InChIKey is SHDBWJJGXJYFRE-MJSGSUOKSA-N. The full InChI is InChI=1S/C7H14N2S/c1-3-4-5-6(2)7(10)9-8/h4-5,7,9-10H,2-3,8H2,1H3/b5-4-/t7-/m0/s1.
What are the key properties of (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol?
(Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol has a molecular weight of 158.27 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1S)-1-hydrazinyl-2-methylidenehex-3-ene-1-thiol is sourced from PubChem (CID 89256461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).