3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene

C19H14S2 — CID 91256916

IUPAC3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene
SMILESC=c1sc2ccccc2c1=Cc1sc2ccccc2c1C
InChIInChI=1S/C19H14S2/c1-12-14-7-3-5-9-17(14)21-19(12)11-16-13(2)20-18-10-6-4-8-15(16)18/h3-11H,2H2,1H3
InChIKeyVUGHNHXUPNRYIA-UHFFFAOYSA-N
MW306.46 g/mol
LogP4.66
Rot. Bonds1

About 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene

3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene (PubChem CID 91256916) has the molecular formula C19H14S2 and a molecular weight of 306.46 g/mol. Its IUPAC name is 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene.

Molecular Properties

Compound Name3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene
PubChem CID91256916
Molecular FormulaC19H14S2
Molecular Weight306.46 g/mol
Exact Mass306.05
IUPAC Name3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene
SMILESC=c1sc2ccccc2c1=Cc1sc2ccccc2c1C
InChIInChI=1S/C19H14S2/c1-12-14-7-3-5-9-17(14)21-19(12)11-16-13(2)20-18-10-6-4-8-15(16)18/h3-11H,2H2,1H3
InChIKeyVUGHNHXUPNRYIA-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
CID 153139876
(E)-2-methyl-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enoic acid
CID 170872982
3-methyl-2-[(E)-2-nitroethenyl]-1-benzothiophene
CID 102193438
(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-en-1-imine
CID 160695721
[(Z)-3-(3-methyl-1-benzothiophen-2-yl)prop-2-enyl]boronic acid
CID 144583110
(3Z)-2-methylidene-3-prop-2-enylidenethiochromen-4-one
CID 134350420
bis(dibenzothiophene);ethane
CID 143921746
4-amino-2-[(3-hydroxy-1-benzothiophen-2-yl)methylidene]-3-methylpyrido[1,2-a]benzimidazol-1-one
CID 173478629
3-[(2-formyl-1-benzothiophen-3-yl)-dimethylsilyl]-1-benzothiophene-2-carbaldehyde
CID 102393562
2-(3-methyl-1-benzothiophen-2-yl)pyridine
CID 58084654
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene?
The IUPAC name of 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene (CID 91256916) is 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene.
What is the SMILES notation for 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene?
The canonical SMILES for 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene is C=c1sc2ccccc2c1=Cc1sc2ccccc2c1C.
What is the InChIKey of 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene?
The InChIKey is VUGHNHXUPNRYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14S2/c1-12-14-7-3-5-9-17(14)21-19(12)11-16-13(2)20-18-10-6-4-8-15(16)18/h3-11H,2H2,1H3.
What are the key properties of 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene?
3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene has a molecular weight of 306.46 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-methylidene-1-benzothiophen-3-ylidene)methyl]-1-benzothiophene is sourced from PubChem (CID 91256916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).