2-[(E)-2-butylsulfanylethenyl]naphthalene

C16H18S — CID 163215654

IUPAC2-[(E)-2-butylsulfanylethenyl]naphthalene
SMILESCCCCS/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H18S/c1-2-3-11-17-12-10-14-8-9-15-6-4-5-7-16(15)13-14/h4-10,12-13H,2-3,11H2,1H3/b12-10+
InChIKeySSAKMQXYKQCVME-ZRDIBKRKSA-N
MW242.39 g/mol
LogP5.34
Rot. Bonds5

About 2-[(E)-2-butylsulfanylethenyl]naphthalene

2-[(E)-2-butylsulfanylethenyl]naphthalene (PubChem CID 163215654) has the molecular formula C16H18S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-[(E)-2-butylsulfanylethenyl]naphthalene.

Molecular Properties

Compound Name2-[(E)-2-butylsulfanylethenyl]naphthalene
PubChem CID163215654
Molecular FormulaC16H18S
Molecular Weight242.39 g/mol
Exact Mass242.11
IUPAC Name2-[(E)-2-butylsulfanylethenyl]naphthalene
SMILESCCCCS/C=C/c1ccc2ccccc2c1
InChIInChI=1S/C16H18S/c1-2-3-11-17-12-10-14-8-9-15-6-4-5-7-16(15)13-14/h4-10,12-13H,2-3,11H2,1H3/b12-10+
InChIKeySSAKMQXYKQCVME-ZRDIBKRKSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.39
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(E)-2-butylsulfanylethenyl]naphthalene 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

2-[(E)-docos-1-enyl]naphthalene
CID 101307759
2-[(E)-dodec-1-enyl]naphthalene
CID 101304399
2-[(Z)-2-butyltellanylethenyl]naphthalene
CID 11078257
2-[(E)-2-[4-[(E)-2-naphthalen-2-ylethenyl]phenyl]ethenyl]naphthalene
CID 20801533
2-[2-[2-(2-butylphenyl)phenyl]ethenyl]naphthalene
CID 174798899
2-[(E)-2-phenylsulfanylethenyl]naphthalene
CID 122215934
N-hexyl-1-naphthalen-2-ylmethanimine
CID 10857572
2-[(Z)-2-anthracen-2-ylethenyl]anthracene
CID 101144533
2-naphthalen-2-ylethenol
CID 67195423
2-[(1E,3E)-penta-1,3-dienyl]naphthalene
CID 135079977
3-naphthalen-2-ylprop-2-en-1-amine
CID 76997157
2-[(E)-3-chloroprop-1-enyl]naphthalene
CID 12965767

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-butylsulfanylethenyl]naphthalene?
The IUPAC name of 2-[(E)-2-butylsulfanylethenyl]naphthalene (CID 163215654) is 2-[(E)-2-butylsulfanylethenyl]naphthalene.
What is the SMILES notation for 2-[(E)-2-butylsulfanylethenyl]naphthalene?
The canonical SMILES for 2-[(E)-2-butylsulfanylethenyl]naphthalene is CCCCS/C=C/c1ccc2ccccc2c1.
What is the InChIKey of 2-[(E)-2-butylsulfanylethenyl]naphthalene?
The InChIKey is SSAKMQXYKQCVME-ZRDIBKRKSA-N. The full InChI is InChI=1S/C16H18S/c1-2-3-11-17-12-10-14-8-9-15-6-4-5-7-16(15)13-14/h4-10,12-13H,2-3,11H2,1H3/b12-10+.
What are the key properties of 2-[(E)-2-butylsulfanylethenyl]naphthalene?
2-[(E)-2-butylsulfanylethenyl]naphthalene has a molecular weight of 242.39 g/mol, XLogP of 5.34, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-butylsulfanylethenyl]naphthalene is sourced from PubChem (CID 163215654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).