(9Z)-9-ethylidene-2-methylthioxanthene

C16H14S — CID 71035873

IUPAC(9Z)-9-ethylidene-2-methylthioxanthene
SMILESC/C=C1/c2ccccc2Sc2ccc(C)cc21
InChIInChI=1S/C16H14S/c1-3-12-13-6-4-5-7-15(13)17-16-9-8-11(2)10-14(12)16/h3-10H,1-2H3/b12-3-
InChIKeyQMZWPFFADPHLFB-BASWHVEKSA-N
MW238.36 g/mol
LogP4.91
Rot. Bonds

About (9Z)-9-ethylidene-2-methylthioxanthene

(9Z)-9-ethylidene-2-methylthioxanthene (PubChem CID 71035873) has the molecular formula C16H14S and a molecular weight of 238.36 g/mol. Its IUPAC name is (9Z)-9-ethylidene-2-methylthioxanthene.

Molecular Properties

Compound Name(9Z)-9-ethylidene-2-methylthioxanthene
PubChem CID71035873
Molecular FormulaC16H14S
Molecular Weight238.36 g/mol
Exact Mass238.08
IUPAC Name(9Z)-9-ethylidene-2-methylthioxanthene
SMILESC/C=C1/c2ccccc2Sc2ccc(C)cc21
InChIInChI=1S/C16H14S/c1-3-12-13-6-4-5-7-15(13)17-16-9-8-11(2)10-14(12)16/h3-10H,1-2H3/b12-3-
InChIKeyQMZWPFFADPHLFB-BASWHVEKSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'styrene_B(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (9Z)-9-ethylidene-2-methylthioxanthene?
The IUPAC name of (9Z)-9-ethylidene-2-methylthioxanthene (CID 71035873) is (9Z)-9-ethylidene-2-methylthioxanthene.
What is the SMILES notation for (9Z)-9-ethylidene-2-methylthioxanthene?
The canonical SMILES for (9Z)-9-ethylidene-2-methylthioxanthene is C/C=C1/c2ccccc2Sc2ccc(C)cc21.
What is the InChIKey of (9Z)-9-ethylidene-2-methylthioxanthene?
The InChIKey is QMZWPFFADPHLFB-BASWHVEKSA-N. The full InChI is InChI=1S/C16H14S/c1-3-12-13-6-4-5-7-15(13)17-16-9-8-11(2)10-14(12)16/h3-10H,1-2H3/b12-3-.
What are the key properties of (9Z)-9-ethylidene-2-methylthioxanthene?
(9Z)-9-ethylidene-2-methylthioxanthene has a molecular weight of 238.36 g/mol, XLogP of 4.91, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z)-9-ethylidene-2-methylthioxanthene is sourced from PubChem (CID 71035873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).