2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene

C22H18S2 — CID 11814361

IUPAC2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene
SMILESCSc1ccc2ccccc2c1-c1c(SC)ccc2ccccc12
InChIInChI=1S/C22H18S2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKeyGARUZCDJBYVOES-UHFFFAOYSA-N
MW346.52 g/mol
LogP7.10
Rot. Bonds3

About 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene

2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene (PubChem CID 11814361) has the molecular formula C22H18S2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene.

Molecular Properties

Compound Name2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene
PubChem CID11814361
Molecular FormulaC22H18S2
Molecular Weight346.52 g/mol
Exact Mass346.08
IUPAC Name2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene
SMILESCSc1ccc2ccccc2c1-c1c(SC)ccc2ccccc12
InChIInChI=1S/C22H18S2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3
InChIKeyGARUZCDJBYVOES-UHFFFAOYSA-N
XLogP7.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene?
The IUPAC name of 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene (CID 11814361) is 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene.
What is the SMILES notation for 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene?
The canonical SMILES for 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene is CSc1ccc2ccccc2c1-c1c(SC)ccc2ccccc12.
What is the InChIKey of 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene?
The InChIKey is GARUZCDJBYVOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18S2/c1-23-19-13-11-15-7-3-5-9-17(15)21(19)22-18-10-6-4-8-16(18)12-14-20(22)24-2/h3-14H,1-2H3.
What are the key properties of 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene?
2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene has a molecular weight of 346.52 g/mol, XLogP of 7.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-(2-methylsulfanylnaphthalen-1-yl)naphthalene is sourced from PubChem (CID 11814361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).