4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile

C17H15NS — CID 82123165

IUPAC4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H15NS/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-11H,1-4H2
InChIKeySWOSIOFZLBMKKV-UHFFFAOYSA-N
MW265.38 g/mol
LogP4.59
Rot. Bonds2

About 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile

4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile (PubChem CID 82123165) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
PubChem CID82123165
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ccc3c(c2)CCCC3)cc1
InChIInChI=1S/C17H15NS/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-11H,1-4H2
InChIKeySWOSIOFZLBMKKV-UHFFFAOYSA-N
XLogP4.59
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.38
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile?
The IUPAC name of 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile (CID 82123165) is 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile is N#Cc1ccc(Sc2ccc3c(c2)CCCC3)cc1.
What is the InChIKey of 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile?
The InChIKey is SWOSIOFZLBMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c18-12-13-5-8-16(9-6-13)19-17-10-7-14-3-1-2-4-15(14)11-17/h5-11H,1-4H2.
What are the key properties of 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile?
4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile has a molecular weight of 265.38 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 82123165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).