(benzylideneamino)-oxosulfanium

C7H6NOS+ — CID 172739102

IUPAC(benzylideneamino)-oxosulfanium
SMILESO=[S+]N=Cc1ccccc1
InChIInChI=1S/C7H6NOS/c9-10-8-6-7-4-2-1-3-5-7/h1-6H/q+1
InChIKeyIVQTZMTZGPPFEP-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.45
Rot. Bonds2

About (benzylideneamino)-oxosulfanium

(benzylideneamino)-oxosulfanium (PubChem CID 172739102) has the molecular formula C7H6NOS+ and a molecular weight of 152.20 g/mol. Its IUPAC name is (benzylideneamino)-oxosulfanium.

Molecular Properties

Compound Name(benzylideneamino)-oxosulfanium
PubChem CID172739102
Molecular FormulaC7H6NOS+
Molecular Weight152.20 g/mol
Exact Mass152.02
IUPAC Name(benzylideneamino)-oxosulfanium
SMILESO=[S+]N=Cc1ccccc1
InChIInChI=1S/C7H6NOS/c9-10-8-6-7-4-2-1-3-5-7/h1-6H/q+1
InChIKeyIVQTZMTZGPPFEP-UHFFFAOYSA-N
XLogP1.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-oxido-1-phenylmethanimine
CID 3712496
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N,1-diphenylmethanimine
CID 10858
copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
benzylidenehydrazine;oxalic acid
CID 162079614
2-(benzylideneamino)acetaldehyde
CID 19818582
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
N-benzylidenehydroxylamine;ethane
CID 90698406
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
(Z)-1-phenyl-N-pyrrol-1-ylmethanimine
CID 5374198
CID 11342105
CID 11342105
N-[(Z)-benzylideneamino]sulfamoyl iodide
CID 129147769

Frequently Asked Questions

What is the IUPAC name of (benzylideneamino)-oxosulfanium?
The IUPAC name of (benzylideneamino)-oxosulfanium (CID 172739102) is (benzylideneamino)-oxosulfanium.
What is the SMILES notation for (benzylideneamino)-oxosulfanium?
The canonical SMILES for (benzylideneamino)-oxosulfanium is O=[S+]N=Cc1ccccc1.
What is the InChIKey of (benzylideneamino)-oxosulfanium?
The InChIKey is IVQTZMTZGPPFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6NOS/c9-10-8-6-7-4-2-1-3-5-7/h1-6H/q+1.
What are the key properties of (benzylideneamino)-oxosulfanium?
(benzylideneamino)-oxosulfanium has a molecular weight of 152.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (benzylideneamino)-oxosulfanium is sourced from PubChem (CID 172739102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).