prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate

C6H12N4S — CID 88646222

IUPACprop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate
SMILESC=CCS/C(N)=N\CC=NN
InChIInChI=1S/C6H12N4S/c1-2-5-11-6(7)9-3-4-10-8/h2,4H,1,3,5,8H2,(H2,7,9)
InChIKeyQOKAOXPVVJNYOO-UHFFFAOYSA-N
MW172.26 g/mol
LogP0.16
Rot. Bonds4

About prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate

prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate (PubChem CID 88646222) has the molecular formula C6H12N4S and a molecular weight of 172.26 g/mol. Its IUPAC name is prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate.

Molecular Properties

Compound Nameprop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate
PubChem CID88646222
Molecular FormulaC6H12N4S
Molecular Weight172.26 g/mol
Exact Mass172.08
IUPAC Nameprop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate
SMILESC=CCS/C(N)=N\CC=NN
InChIInChI=1S/C6H12N4S/c1-2-5-11-6(7)9-3-4-10-8/h2,4H,1,3,5,8H2,(H2,7,9)
InChIKeyQOKAOXPVVJNYOO-UHFFFAOYSA-N
XLogP0.16
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.26
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate?
The IUPAC name of prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate (CID 88646222) is prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate.
What is the SMILES notation for prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate?
The canonical SMILES for prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate is C=CCS/C(N)=N\CC=NN.
What is the InChIKey of prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate?
The InChIKey is QOKAOXPVVJNYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S/c1-2-5-11-6(7)9-3-4-10-8/h2,4H,1,3,5,8H2,(H2,7,9).
What are the key properties of prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate?
prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate has a molecular weight of 172.26 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-(2-hydrazinylideneethyl)carbamimidothioate is sourced from PubChem (CID 88646222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).