2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene

C19H16S2 — CID 143802785

IUPAC2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene
SMILESC=C(SC(=C)c1cccc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C19H16S2/c1-13-11-12-19(20-13)15(3)21-14(2)17-10-6-8-16-7-4-5-9-18(16)17/h4-12H,2-3H2,1H3
InChIKeyUQDQSSYQZLGAFH-UHFFFAOYSA-N
MW308.47 g/mol
LogP6.58
Rot. Bonds4

About 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene

2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene (PubChem CID 143802785) has the molecular formula C19H16S2 and a molecular weight of 308.47 g/mol. Its IUPAC name is 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene.

Molecular Properties

Compound Name2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene
PubChem CID143802785
Molecular FormulaC19H16S2
Molecular Weight308.47 g/mol
Exact Mass308.07
IUPAC Name2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene
SMILESC=C(SC(=C)c1cccc2ccccc12)c1ccc(C)s1
InChIInChI=1S/C19H16S2/c1-13-11-12-19(20-13)15(3)21-14(2)17-10-6-8-16-7-4-5-9-18(16)17/h4-12H,2-3H2,1H3
InChIKeyUQDQSSYQZLGAFH-UHFFFAOYSA-N
XLogP6.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.47
LogP ≤ 56.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene?
The IUPAC name of 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene (CID 143802785) is 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene.
What is the SMILES notation for 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene?
The canonical SMILES for 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene is C=C(SC(=C)c1cccc2ccccc12)c1ccc(C)s1.
What is the InChIKey of 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene?
The InChIKey is UQDQSSYQZLGAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16S2/c1-13-11-12-19(20-13)15(3)21-14(2)17-10-6-8-16-7-4-5-9-18(16)17/h4-12H,2-3H2,1H3.
What are the key properties of 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene?
2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene has a molecular weight of 308.47 g/mol, XLogP of 6.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[1-(1-naphthalen-1-ylethenylsulfanyl)ethenyl]thiophene is sourced from PubChem (CID 143802785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).