benzylidene-(2-cyanophenyl)sulfanium

C14H10NS+ — CID 135017042

IUPACbenzylidene-(2-cyanophenyl)sulfanium
SMILESN#Cc1ccccc1/[S+]=C/c1ccccc1
InChIInChI=1S/C14H10NS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,11H/q+1
InChIKeySBIOGGDLARYUTK-UHFFFAOYSA-N
MW224.31 g/mol
LogP2.85
Rot. Bonds2

About benzylidene-(2-cyanophenyl)sulfanium

benzylidene-(2-cyanophenyl)sulfanium (PubChem CID 135017042) has the molecular formula C14H10NS+ and a molecular weight of 224.31 g/mol. Its IUPAC name is benzylidene-(2-cyanophenyl)sulfanium.

Molecular Properties

Compound Namebenzylidene-(2-cyanophenyl)sulfanium
PubChem CID135017042
Molecular FormulaC14H10NS+
Molecular Weight224.31 g/mol
Exact Mass224.05
IUPAC Namebenzylidene-(2-cyanophenyl)sulfanium
SMILESN#Cc1ccccc1/[S+]=C/c1ccccc1
InChIInChI=1S/C14H10NS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,11H/q+1
InChIKeySBIOGGDLARYUTK-UHFFFAOYSA-N
XLogP2.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
benzene-1,2-dicarbonitrile;dihydrochloride
CID 66675666
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 582961
2-[(2-cyanophenyl)methyl]benzonitrile
CID 19390291
benzene-1,2-dicarbonitrile;prop-2-enenitrile
CID 175057961
2-[[(E)-3-phenylprop-2-enoxy]methyl]benzonitrile
CID 43128816
anthracene-1-carbonitrile
CID 3036603
2-chloro-N-(2-cyanophenyl)-3-phenylprop-2-enamide
CID 5207908
2-[(2-cyanophenyl)tetrasulfanyl]benzonitrile
CID 54276832

Frequently Asked Questions

What is the IUPAC name of benzylidene-(2-cyanophenyl)sulfanium?
The IUPAC name of benzylidene-(2-cyanophenyl)sulfanium (CID 135017042) is benzylidene-(2-cyanophenyl)sulfanium.
What is the SMILES notation for benzylidene-(2-cyanophenyl)sulfanium?
The canonical SMILES for benzylidene-(2-cyanophenyl)sulfanium is N#Cc1ccccc1/[S+]=C/c1ccccc1.
What is the InChIKey of benzylidene-(2-cyanophenyl)sulfanium?
The InChIKey is SBIOGGDLARYUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10NS/c15-10-13-8-4-5-9-14(13)16-11-12-6-2-1-3-7-12/h1-9,11H/q+1.
What are the key properties of benzylidene-(2-cyanophenyl)sulfanium?
benzylidene-(2-cyanophenyl)sulfanium has a molecular weight of 224.31 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-(2-cyanophenyl)sulfanium is sourced from PubChem (CID 135017042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).