(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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Related Compounds

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10,20-dithiapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),3(11),4,6,8,14,16,18-octaene-2,12-dione
CID 10615659
2-[2-(2-chlorophenyl)-1-benzothiophen-3-yl]aniline
CID 134369750
1-(2-phenyl-1-benzothiophen-3-yl)-3-(2-phenylphenyl)-2-benzofuran
CID 156552692
14-thia-2-azahexacyclo[10.9.1.02,7.08,22.013,21.015,20]docosa-1(22),3,5,7,9,11,13(21),15,17,19-decaene
CID 58898743
(1Z,10Z,19Z,28Z)-9,12,27,30-tetrathianonacyclo[27.7.0.02,10.03,8.011,19.013,18.020,28.021,26.031,36]hexatriaconta-1,3,5,7,10,13,15,17,19,21,23,25,28,31,33,35-hexadecaene
CID 15554848
3-bromo-2-(2-bromophenyl)-1-benzothiophene
CID 102054316
1,2-dimethylindeno[1,2-b][1]benzothiol-10-one
CID 168866784
3-(2-sulfanyl-1-benzothiophen-3-yl)-1-benzothiophene-2-thiol
CID 101439784
dibenzothiophene;methane
CID 162233710
5-benzylideneindeno[1,2-b]pyridin-1-ium
CID 4982266

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).