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

C10H9NS — CID 130239492

IUPAC(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine
SMILESC#C/C=C1\C/C(=C\C=C)N=CS1
InChIInChI=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+
InChIKeyRPDPRMMENUXRAE-NXZHAISVSA-N
MW175.26 g/mol
LogP2.74
Rot. Bonds1

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 CID130239492
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name(4E,6E)-4-prop-2-enylidene-6-prop-2-ynylidene-1,3-thiazine
SMILESC#C/C=C1\C/C(=C\C=C)N=CS1
InChIInChI=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+
InChIKeyRPDPRMMENUXRAE-NXZHAISVSA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).