prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride

C5H11ClN4S — CID 173402378

IUPACprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N/C=N\N.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-2-3-10-5(6)8-4-9-7;/h2,4H,1,3,7H2,(H2,6,8,9);1H
InChIKeyHWMLFFWAKIIMHW-UHFFFAOYSA-N
MW194.69 g/mol
LogP0.54
Rot. Bonds3

About prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride

prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride (PubChem CID 173402378) has the molecular formula C5H11ClN4S and a molecular weight of 194.69 g/mol. Its IUPAC name is prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride
PubChem CID173402378
Molecular FormulaC5H11ClN4S
Molecular Weight194.69 g/mol
Exact Mass194.04
IUPAC Nameprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N/C=N\N.Cl
InChIInChI=1S/C5H10N4S.ClH/c1-2-3-10-5(6)8-4-9-7;/h2,4H,1,3,7H2,(H2,6,8,9);1H
InChIKeyHWMLFFWAKIIMHW-UHFFFAOYSA-N
XLogP0.54
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.69
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride?
The IUPAC name of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride (CID 173402378) is prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride.
What is the SMILES notation for prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride?
The canonical SMILES for prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride is C=CCS/C(N)=N/C=N\N.Cl.
What is the InChIKey of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride?
The InChIKey is HWMLFFWAKIIMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S.ClH/c1-2-3-10-5(6)8-4-9-7;/h2,4H,1,3,7H2,(H2,6,8,9);1H.
What are the key properties of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride?
prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride has a molecular weight of 194.69 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate;hydrochloride is sourced from PubChem (CID 173402378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).