(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole

C22H14S — CID 177433262

IUPAC(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole
SMILESC(=C1/c2ccccc2-c2sc3ccccc3c21)\c1ccccc1
InChIInChI=1S/C22H14S/c1-2-8-15(9-3-1)14-19-16-10-4-5-11-17(16)22-21(19)18-12-6-7-13-20(18)23-22/h1-14H/b19-14-
InChIKeyMOCZOGRMSGKFHM-RGEXLXHISA-N
MW310.42 g/mol
LogP6.47
Rot. Bonds1

About (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole

(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole (PubChem CID 177433262) has the molecular formula C22H14S and a molecular weight of 310.42 g/mol. Its IUPAC name is (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole.

Molecular Properties

Compound Name(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole
PubChem CID177433262
Molecular FormulaC22H14S
Molecular Weight310.42 g/mol
Exact Mass310.08
IUPAC Name(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole
SMILESC(=C1/c2ccccc2-c2sc3ccccc3c21)\c1ccccc1
InChIInChI=1S/C22H14S/c1-2-8-15(9-3-1)14-19-16-10-4-5-11-17(16)22-21(19)18-12-6-7-13-20(18)23-22/h1-14H/b19-14-
InChIKeyMOCZOGRMSGKFHM-RGEXLXHISA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.42
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole?
The IUPAC name of (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole (CID 177433262) is (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole.
What is the SMILES notation for (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole?
The canonical SMILES for (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole is C(=C1/c2ccccc2-c2sc3ccccc3c21)\c1ccccc1.
What is the InChIKey of (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole?
The InChIKey is MOCZOGRMSGKFHM-RGEXLXHISA-N. The full InChI is InChI=1S/C22H14S/c1-2-8-15(9-3-1)14-19-16-10-4-5-11-17(16)22-21(19)18-12-6-7-13-20(18)23-22/h1-14H/b19-14-.
What are the key properties of (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole?
(10Z)-10-benzylideneindeno[1,2-b][1]benzothiole has a molecular weight of 310.42 g/mol, XLogP of 6.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10Z)-10-benzylideneindeno[1,2-b][1]benzothiole is sourced from PubChem (CID 177433262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).