(5Z)-5-phenylsulfanylnona-5,8-dienenitrile

C15H17NS — CID 15984358

IUPAC(5Z)-5-phenylsulfanylnona-5,8-dienenitrile
SMILESC=CC/C=C(/CCCC#N)Sc1ccccc1
InChIInChI=1S/C15H17NS/c1-2-3-9-14(12-7-8-13-16)17-15-10-5-4-6-11-15/h2,4-6,9-11H,1,3,7-8,12H2/b14-9-
InChIKeyDRIKFFBBJKCJJX-ZROIWOOFSA-N
MW243.38 g/mol
LogP4.93
Rot. Bonds7

About (5Z)-5-phenylsulfanylnona-5,8-dienenitrile

(5Z)-5-phenylsulfanylnona-5,8-dienenitrile (PubChem CID 15984358) has the molecular formula C15H17NS and a molecular weight of 243.38 g/mol. Its IUPAC name is (5Z)-5-phenylsulfanylnona-5,8-dienenitrile.

Molecular Properties

Compound Name(5Z)-5-phenylsulfanylnona-5,8-dienenitrile
PubChem CID15984358
Molecular FormulaC15H17NS
Molecular Weight243.38 g/mol
Exact Mass243.11
IUPAC Name(5Z)-5-phenylsulfanylnona-5,8-dienenitrile
SMILESC=CC/C=C(/CCCC#N)Sc1ccccc1
InChIInChI=1S/C15H17NS/c1-2-3-9-14(12-7-8-13-16)17-15-10-5-4-6-11-15/h2,4-6,9-11H,1,3,7-8,12H2/b14-9-
InChIKeyDRIKFFBBJKCJJX-ZROIWOOFSA-N
XLogP4.93
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.38
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-phenylsulfanylnona-5,8-dienenitrile?
The IUPAC name of (5Z)-5-phenylsulfanylnona-5,8-dienenitrile (CID 15984358) is (5Z)-5-phenylsulfanylnona-5,8-dienenitrile.
What is the SMILES notation for (5Z)-5-phenylsulfanylnona-5,8-dienenitrile?
The canonical SMILES for (5Z)-5-phenylsulfanylnona-5,8-dienenitrile is C=CC/C=C(/CCCC#N)Sc1ccccc1.
What is the InChIKey of (5Z)-5-phenylsulfanylnona-5,8-dienenitrile?
The InChIKey is DRIKFFBBJKCJJX-ZROIWOOFSA-N. The full InChI is InChI=1S/C15H17NS/c1-2-3-9-14(12-7-8-13-16)17-15-10-5-4-6-11-15/h2,4-6,9-11H,1,3,7-8,12H2/b14-9-.
What are the key properties of (5Z)-5-phenylsulfanylnona-5,8-dienenitrile?
(5Z)-5-phenylsulfanylnona-5,8-dienenitrile has a molecular weight of 243.38 g/mol, XLogP of 4.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-phenylsulfanylnona-5,8-dienenitrile is sourced from PubChem (CID 15984358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).