prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride

C6H13ClN4S — CID 88646218

IUPACprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N\C(C)=N\N.Cl
InChIInChI=1S/C6H12N4S.ClH/c1-3-4-11-6(7)9-5(2)10-8;/h3H,1,4,8H2,2H3,(H2,7,9,10);1H
InChIKeyQUGWXMAUCWUEBH-UHFFFAOYSA-N
MW208.72 g/mol
LogP0.93
Rot. Bonds2

About prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride

prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride (PubChem CID 88646218) has the molecular formula C6H13ClN4S and a molecular weight of 208.72 g/mol. Its IUPAC name is prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride.

Molecular Properties

Compound Nameprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride
PubChem CID88646218
Molecular FormulaC6H13ClN4S
Molecular Weight208.72 g/mol
Exact Mass208.05
IUPAC Nameprop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride
SMILESC=CCS/C(N)=N\C(C)=N\N.Cl
InChIInChI=1S/C6H12N4S.ClH/c1-3-4-11-6(7)9-5(2)10-8;/h3H,1,4,8H2,2H3,(H2,7,9,10);1H
InChIKeyQUGWXMAUCWUEBH-UHFFFAOYSA-N
XLogP0.93
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.72
LogP ≤ 50.93
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'-ethanehydrazonoylcarbamimidothioate;hydrochloride?
The IUPAC name of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride (CID 88646218) is prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride.
What is the SMILES notation for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride?
The canonical SMILES for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride is C=CCS/C(N)=N\C(C)=N\N.Cl.
What is the InChIKey of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride?
The InChIKey is QUGWXMAUCWUEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4S.ClH/c1-3-4-11-6(7)9-5(2)10-8;/h3H,1,4,8H2,2H3,(H2,7,9,10);1H.
What are the key properties of prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride?
prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride has a molecular weight of 208.72 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl N'-ethanehydrazonoylcarbamimidothioate;hydrochloride is sourced from PubChem (CID 88646218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).