(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine

C₁₀H₉NS — CID 130239492

About (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine

(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine (PubChem CID 130239492) has the molecular formula C₁₀H₉NS and a molecular weight of 175.26 g/mol. Its IUPAC name is (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine.

Molecular Properties

• Compound Name: (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine
• PubChem CID: 130239492
• Molecular Formula: C₁₀H₉NS
• Molecular Weight: 175.26 g/mol
• Exact Mass: 175.05
• IUPAC Name: (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine
• SMILES: C#C/C=C1\C/C(=C\C=C)N=CS1
• InChI: InChI=1S/C10H9NS/c1-3-5-9-7-10(6-4-2)12-8-11-9/h2-3,5-6,8H,1,7H2/b9-5+,10-6+
• InChIKey: RPDPRMMENUXRAE-NXZHAISVSA-N
• XLogP: 2.74
• TPSA: 12.36 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	175.26
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine?

The IUPAC name of (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine (CID 130239492) is (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine.

What is the SMILES notation for (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine?

The canonical SMILES for (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine is C#C/C=C1\C/C(=C\C=C)N=CS1.

What is the InChIKey of (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine?

The InChIKey is RPDPRMMENUXRAE-NXZHAISVSA-N. The full InChI is InChI=1S/C10H9NS/c1-3-5-9-7-10(6-4-2)12-8-11-9/h2-3,5-6,8H,1,7H2/b9-5+,10-6+.

What are the key properties of (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine?

(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine has a molecular weight of 175.26 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine is sourced from PubChem (CID 130239492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 130239492 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.