naphthalene-1-carbonitrile;sulfane

C11H9NS — CID 175607355

IUPACnaphthalene-1-carbonitrile;sulfane
SMILESN#Cc1cccc2ccccc12.S
InChIInChI=1S/C11H7N.H2S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H;1H2
InChIKeyUOQJTSYYSVZBRA-UHFFFAOYSA-N
MW187.27 g/mol
LogP2.82
Rot. Bonds

About naphthalene-1-carbonitrile;sulfane

naphthalene-1-carbonitrile;sulfane (PubChem CID 175607355) has the molecular formula C11H9NS and a molecular weight of 187.27 g/mol. Its IUPAC name is naphthalene-1-carbonitrile;sulfane.

Molecular Properties

Compound Namenaphthalene-1-carbonitrile;sulfane
PubChem CID175607355
Molecular FormulaC11H9NS
Molecular Weight187.27 g/mol
Exact Mass187.05
IUPAC Namenaphthalene-1-carbonitrile;sulfane
SMILESN#Cc1cccc2ccccc12.S
InChIInChI=1S/C11H7N.H2S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H;1H2
InChIKeyUOQJTSYYSVZBRA-UHFFFAOYSA-N
XLogP2.82
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3,6,7-tetrakis(2-naphthalen-1-ylethynyl)naphthalene
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Frequently Asked Questions

What is the IUPAC name of naphthalene-1-carbonitrile;sulfane?
The IUPAC name of naphthalene-1-carbonitrile;sulfane (CID 175607355) is naphthalene-1-carbonitrile;sulfane.
What is the SMILES notation for naphthalene-1-carbonitrile;sulfane?
The canonical SMILES for naphthalene-1-carbonitrile;sulfane is N#Cc1cccc2ccccc12.S.
What is the InChIKey of naphthalene-1-carbonitrile;sulfane?
The InChIKey is UOQJTSYYSVZBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N.H2S/c12-8-10-6-3-5-9-4-1-2-7-11(9)10;/h1-7H;1H2.
What are the key properties of naphthalene-1-carbonitrile;sulfane?
naphthalene-1-carbonitrile;sulfane has a molecular weight of 187.27 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1-carbonitrile;sulfane is sourced from PubChem (CID 175607355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).