(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane

C9H13NS — CID 130412005

IUPAC(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane
SMILESC=C/C=C1/CSNC/C1=C/C
InChIInChI=1S/C9H13NS/c1-3-5-9-7-11-10-6-8(9)4-2/h3-5,10H,1,6-7H2,2H3/b8-4-,9-5-
InChIKeyGSOLZTFJVPWCRQ-XEQVNJCQSA-N
MW167.28 g/mol
LogP2.30
Rot. Bonds1

About (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane

(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane (PubChem CID 130412005) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane
PubChem CID130412005
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane
SMILESC=C/C=C1/CSNC/C1=C/C
InChIInChI=1S/C9H13NS/c1-3-5-9-7-11-10-6-8(9)4-2/h3-5,10H,1,6-7H2,2H3/b8-4-,9-5-
InChIKeyGSOLZTFJVPWCRQ-XEQVNJCQSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane?
The IUPAC name of (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane (CID 130412005) is (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane.
What is the SMILES notation for (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane?
The canonical SMILES for (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane is C=C/C=C1/CSNC/C1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane?
The InChIKey is GSOLZTFJVPWCRQ-XEQVNJCQSA-N. The full InChI is InChI=1S/C9H13NS/c1-3-5-9-7-11-10-6-8(9)4-2/h3-5,10H,1,6-7H2,2H3/b8-4-,9-5-.
What are the key properties of (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane?
(4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane has a molecular weight of 167.28 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-5-prop-2-enylidenethiazinane is sourced from PubChem (CID 130412005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).