N-[(Z)-pent-2-enylidene]prop-2-enethioamide

C₈H₁₁NS — CID 91333527

About N-[(Z)-pent-2-enylidene]prop-2-enethioamide

N-[(Z)-pent-2-enylidene]prop-2-enethioamide (PubChem CID 91333527) has the molecular formula C₈H₁₁NS and a molecular weight of 153.25 g/mol. Its IUPAC name is N-[(Z)-pent-2-enylidene]prop-2-enethioamide.

Molecular Properties

• Compound Name: N-[(Z)-pent-2-enylidene]prop-2-enethioamide
• PubChem CID: 91333527
• Molecular Formula: C₈H₁₁NS
• Molecular Weight: 153.25 g/mol
• Exact Mass: 153.06
• IUPAC Name: N-[(Z)-pent-2-enylidene]prop-2-enethioamide
• SMILES: C=CC(=S)/N=C/C=C\CC
• InChI: InChI=1S/C8H11NS/c1-3-5-6-7-9-8(10)4-2/h4-7H,2-3H2,1H3/b6-5-,9-7+
• InChIKey: FATZDNUOUJCBKV-BZWSEGBZSA-N
• XLogP: 2.54
• TPSA: 12.36 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	153.25
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?

The IUPAC name of N-[(Z)-pent-2-enylidene]prop-2-enethioamide (CID 91333527) is N-[(Z)-pent-2-enylidene]prop-2-enethioamide.

What is the SMILES notation for N-[(Z)-pent-2-enylidene]prop-2-enethioamide?

The canonical SMILES for N-[(Z)-pent-2-enylidene]prop-2-enethioamide is C=CC(=S)/N=C/C=C\CC.

What is the InChIKey of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?

The InChIKey is FATZDNUOUJCBKV-BZWSEGBZSA-N. The full InChI is InChI=1S/C8H11NS/c1-3-5-6-7-9-8(10)4-2/h4-7H,2-3H2,1H3/b6-5-,9-7+.

What are the key properties of N-[(Z)-pent-2-enylidene]prop-2-enethioamide?

N-[(Z)-pent-2-enylidene]prop-2-enethioamide has a molecular weight of 153.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(Z)-pent-2-enylidene]prop-2-enethioamide is sourced from PubChem (CID 91333527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91333527 — identifiers, structure, computed properties (public domain)

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