(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene

C17H14S — CID 5381750

IUPAC(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
SMILESCSc1ccc(/C=C2\C=Cc3ccccc32)cc1
InChIInChI=1S/C17H14S/c1-18-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12+
InChIKeyBLDWJYPPZFJELO-NTCAYCPXSA-N
MW250.37 g/mol
LogP4.98
Rot. Bonds2

About (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene

(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene (PubChem CID 5381750) has the molecular formula C17H14S and a molecular weight of 250.37 g/mol. Its IUPAC name is (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene.

Molecular Properties

Compound Name(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
PubChem CID5381750
Molecular FormulaC17H14S
Molecular Weight250.37 g/mol
Exact Mass250.08
IUPAC Name(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene
SMILESCSc1ccc(/C=C2\C=Cc3ccccc32)cc1
InChIInChI=1S/C17H14S/c1-18-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12+
InChIKeyBLDWJYPPZFJELO-NTCAYCPXSA-N
XLogP4.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.37
LogP ≤ 54.98
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

[4-[(Z)-inden-1-ylidenemethyl]phenyl]-trimethylazanium iodide
CID 6444348
N-[4-[(Z)-inden-1-ylidenemethyl]phenyl]-N-methylacetamide
CID 6436786
4-[(E)-inden-1-ylidenemethyl]-1-N,1-N-dimethylbenzene-1,2-diamine
CID 53315161
2,6-dibromo-4-[(E)-inden-1-ylidenemethyl]aniline
CID 5381820
2-methyl-9-[(4-methylsulfanylphenyl)methylidene]fluorene
CID 76760087
(1E)-1-inden-1-ylidene-N,N-dimethylmethanamine
CID 5382445
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
2-[(E)-(4-methylsulfanylphenyl)methylideneamino]isoindole-1,3-dione
CID 6897377
2-(2-chlorophenyl)-4-[(4-methylsulfanylphenyl)methylidene]-1,3-oxazol-5-one
CID 5022586
N-ethyl-2-[(Z)-inden-1-ylidenemethyl]aniline
CID 21139902
(2E)-2-inden-1-ylidene-N,N-dimethylethanamine
CID 6509875
1-chloro-2-(4-methylsulfanylphenyl)benzene
CID 123340563

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene?
The IUPAC name of (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene (CID 5381750) is (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene.
What is the SMILES notation for (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene?
The canonical SMILES for (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene is CSc1ccc(/C=C2\C=Cc3ccccc32)cc1.
What is the InChIKey of (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene?
The InChIKey is BLDWJYPPZFJELO-NTCAYCPXSA-N. The full InChI is InChI=1S/C17H14S/c1-18-16-10-6-13(7-11-16)12-15-9-8-14-4-2-3-5-17(14)15/h2-12H,1H3/b15-12+.
What are the key properties of (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene?
(1E)-1-[(4-methylsulfanylphenyl)methylidene]indene has a molecular weight of 250.37 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-methylsulfanylphenyl)methylidene]indene is sourced from PubChem (CID 5381750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).