2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

C24H20S2 — CID 68691173

IUPAC2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCSc1cc2ccccc2cc1/C=C/c1cc2ccccc2cc1SC
InChIInChI=1S/C24H20S2/c1-25-23-15-19-9-5-3-7-17(19)13-21(23)11-12-22-14-18-8-4-6-10-20(18)16-24(22)26-2/h3-16H,1-2H3/b12-11+
InChIKeyJOJRXIBRTRSVKZ-VAWYXSNFSA-N
MW372.56 g/mol
LogP7.61
Rot. Bonds4

About 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene

2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (PubChem CID 68691173) has the molecular formula C24H20S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.

Molecular Properties

Compound Name2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
PubChem CID68691173
Molecular FormulaC24H20S2
Molecular Weight372.56 g/mol
Exact Mass372.10
IUPAC Name2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene
SMILESCSc1cc2ccccc2cc1/C=C/c1cc2ccccc2cc1SC
InChIInChI=1S/C24H20S2/c1-25-23-15-19-9-5-3-7-17(19)13-21(23)11-12-22-14-18-8-4-6-10-20(18)16-24(22)26-2/h3-16H,1-2H3/b12-11+
InChIKeyJOJRXIBRTRSVKZ-VAWYXSNFSA-N
XLogP7.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.56
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The IUPAC name of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene (CID 68691173) is 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene.
What is the SMILES notation for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The canonical SMILES for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is CSc1cc2ccccc2cc1/C=C/c1cc2ccccc2cc1SC.
What is the InChIKey of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
The InChIKey is JOJRXIBRTRSVKZ-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H20S2/c1-25-23-15-19-9-5-3-7-17(19)13-21(23)11-12-22-14-18-8-4-6-10-20(18)16-24(22)26-2/h3-16H,1-2H3/b12-11+.
What are the key properties of 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene?
2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene has a molecular weight of 372.56 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-[(E)-2-(3-methylsulfanylnaphthalen-2-yl)ethenyl]naphthalene is sourced from PubChem (CID 68691173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).