benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium

C14H12NOS+ — CID 135031659

IUPACbenzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium
SMILESO/N=C(\[S+]=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NOS/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-11H/p+1/b15-14-
InChIKeyNCJZWWLKIDAHQZ-PFONDFGASA-O
MW242.32 g/mol
LogP2.76
Rot. Bonds2

About benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium

benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium (PubChem CID 135031659) has the molecular formula C14H12NOS+ and a molecular weight of 242.32 g/mol. Its IUPAC name is benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium.

Molecular Properties

Compound Namebenzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium
PubChem CID135031659
Molecular FormulaC14H12NOS+
Molecular Weight242.32 g/mol
Exact Mass242.06
IUPAC Namebenzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium
SMILESO/N=C(\[S+]=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NOS/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-11H/p+1/b15-14-
InChIKeyNCJZWWLKIDAHQZ-PFONDFGASA-O
XLogP2.76
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Related Compounds

sodium N-hydroxybenzenecarboximidate
CID 141386787
benzylidene-(2-hydroxyiminoethylideneamino)sulfanium
CID 172861093
CID 173126547
CID 173126547
(NE)-N-[(Z)-3,4-diphenylbut-3-en-2-ylidene]hydroxylamine
CID 12637252
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
[(3E)-1,6,6-triphenylhexa-1,3,5-trienyl]benzene
CID 15791647
magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
CID 134890820
1,2-diphenylethenylbenzene;furan
CID 175372951
1-(4,4-diphenylbuta-1,3-dienyl)-4-(4-phenylbuta-1,3-dienyl)benzene
CID 173138979
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
CID 136643584
CID 172843956
CID 172843956
N'-hydroxybenzenecarboximidamide
CID 142861747

Frequently Asked Questions

What is the IUPAC name of benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium?
The IUPAC name of benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium (CID 135031659) is benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium.
What is the SMILES notation for benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium?
The canonical SMILES for benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium is O/N=C(\[S+]=C\c1ccccc1)c1ccccc1.
What is the InChIKey of benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium?
The InChIKey is NCJZWWLKIDAHQZ-PFONDFGASA-O. The full InChI is InChI=1S/C14H11NOS/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-11H/p+1/b15-14-.
What are the key properties of benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium?
benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium has a molecular weight of 242.32 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzylidene-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]sulfanium is sourced from PubChem (CID 135031659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).