benzoylimino-(pyridin-2-ylamino)sulfanium

C12H10N3OS+ — CID 172702252

IUPACbenzoylimino-(pyridin-2-ylamino)sulfanium
SMILESO=C(/N=[S+]/Nc1ccccn1)c1ccccc1
InChIInChI=1S/C12H9N3OS/c16-12(10-6-2-1-3-7-10)15-17-14-11-8-4-5-9-13-11/h1-9H/p+1
InChIKeyDCRCDAILINWOAC-UHFFFAOYSA-O
MW244.30 g/mol
LogP2.52
Rot. Bonds3

About benzoylimino-(pyridin-2-ylamino)sulfanium

benzoylimino-(pyridin-2-ylamino)sulfanium (PubChem CID 172702252) has the molecular formula C12H10N3OS+ and a molecular weight of 244.30 g/mol. Its IUPAC name is benzoylimino-(pyridin-2-ylamino)sulfanium.

Molecular Properties

Compound Namebenzoylimino-(pyridin-2-ylamino)sulfanium
PubChem CID172702252
Molecular FormulaC12H10N3OS+
Molecular Weight244.30 g/mol
Exact Mass244.05
IUPAC Namebenzoylimino-(pyridin-2-ylamino)sulfanium
SMILESO=C(/N=[S+]/Nc1ccccn1)c1ccccc1
InChIInChI=1S/C12H9N3OS/c16-12(10-6-2-1-3-7-10)15-17-14-11-8-4-5-9-13-11/h1-9H/p+1
InChIKeyDCRCDAILINWOAC-UHFFFAOYSA-O
XLogP2.52
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzoylimino-[(6-bromo-2-pyridinyl)amino]sulfanium
CID 172696531
pyrazine;N-pyridin-2-ylbenzamide
CID 158820949
2-(pyridin-2-ylhydrazinylidene)acetic acid
CID 75030824
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
(Z)-1-phenyl-3-(pyridin-2-ylamino)prop-2-en-1-one
CID 5310821
benzene-1,3-dicarboxylic acid;N-methylpyridin-2-amine;hydrochloride
CID 174581596
pyridine;N-pyridin-2-ylacetamide
CID 67298573
N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]pyridin-2-amine
CID 6512079
2-[2-oxo-2-(pyridin-2-ylamino)ethoxy]acetic acid
CID 2737830
N-[3-oxo-1-phenyl-3-(pyridin-2-ylamino)propyl]benzamide
CID 134014968

Frequently Asked Questions

What is the IUPAC name of benzoylimino-(pyridin-2-ylamino)sulfanium?
The IUPAC name of benzoylimino-(pyridin-2-ylamino)sulfanium (CID 172702252) is benzoylimino-(pyridin-2-ylamino)sulfanium.
What is the SMILES notation for benzoylimino-(pyridin-2-ylamino)sulfanium?
The canonical SMILES for benzoylimino-(pyridin-2-ylamino)sulfanium is O=C(/N=[S+]/Nc1ccccn1)c1ccccc1.
What is the InChIKey of benzoylimino-(pyridin-2-ylamino)sulfanium?
The InChIKey is DCRCDAILINWOAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H9N3OS/c16-12(10-6-2-1-3-7-10)15-17-14-11-8-4-5-9-13-11/h1-9H/p+1.
What are the key properties of benzoylimino-(pyridin-2-ylamino)sulfanium?
benzoylimino-(pyridin-2-ylamino)sulfanium has a molecular weight of 244.30 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzoylimino-(pyridin-2-ylamino)sulfanium is sourced from PubChem (CID 172702252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).