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

C5H10N4S — CID 88646551

IUPACprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate
SMILESC=CCS/C(N)=N/C=N\N
InChIInChI=1S/C5H10N4S/c1-2-3-10-5(6)8-4-9-7/h2,4H,1,3,7H2,(H2,6,8,9)
InChIKeyUZNYMDCVPDAKAP-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.12
Rot. Bonds3

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

prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate (PubChem CID 88646551) has the molecular formula C5H10N4S and a molecular weight of 158.23 g/mol. Its IUPAC name is prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate.

Molecular Properties

Compound Nameprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate
PubChem CID88646551
Molecular FormulaC5H10N4S
Molecular Weight158.23 g/mol
Exact Mass158.06
IUPAC Nameprop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate
SMILESC=CCS/C(N)=N/C=N\N
InChIInChI=1S/C5H10N4S/c1-2-3-10-5(6)8-4-9-7/h2,4H,1,3,7H2,(H2,6,8,9)
InChIKeyUZNYMDCVPDAKAP-UHFFFAOYSA-N
XLogP0.12
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.12
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?
The IUPAC name of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate (CID 88646551) is prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate.
What is the SMILES notation for prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate?
The canonical SMILES for prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate is C=CCS/C(N)=N/C=N\N.
What is the InChIKey of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate?
The InChIKey is UZNYMDCVPDAKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4S/c1-2-3-10-5(6)8-4-9-7/h2,4H,1,3,7H2,(H2,6,8,9).
What are the key properties of prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate?
prop-2-enyl N'-[(Z)-hydrazinylidenemethyl]carbamimidothioate has a molecular weight of 158.23 g/mol, XLogP of 0.12, 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 is sourced from PubChem (CID 88646551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).