1-phenyl-N-phenylsulfanylmethanimine oxide

C13H11NOS — CID 150091128

IUPAC1-phenyl-N-phenylsulfanylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C13H11NOS/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H
InChIKeyDTGCDCMHPADAEB-UHFFFAOYSA-N
MW229.30 g/mol
LogP3.32
Rot. Bonds3

About 1-phenyl-N-phenylsulfanylmethanimine oxide

1-phenyl-N-phenylsulfanylmethanimine oxide (PubChem CID 150091128) has the molecular formula C13H11NOS and a molecular weight of 229.30 g/mol. Its IUPAC name is 1-phenyl-N-phenylsulfanylmethanimine oxide.

Molecular Properties

Compound Name1-phenyl-N-phenylsulfanylmethanimine oxide
PubChem CID150091128
Molecular FormulaC13H11NOS
Molecular Weight229.30 g/mol
Exact Mass229.06
IUPAC Name1-phenyl-N-phenylsulfanylmethanimine oxide
SMILES[O-][N+](=Cc1ccccc1)Sc1ccccc1
InChIInChI=1S/C13H11NOS/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H
InChIKeyDTGCDCMHPADAEB-UHFFFAOYSA-N
XLogP3.32
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-phenylsulfanylmethanimine oxide?
The IUPAC name of 1-phenyl-N-phenylsulfanylmethanimine oxide (CID 150091128) is 1-phenyl-N-phenylsulfanylmethanimine oxide.
What is the SMILES notation for 1-phenyl-N-phenylsulfanylmethanimine oxide?
The canonical SMILES for 1-phenyl-N-phenylsulfanylmethanimine oxide is [O-][N+](=Cc1ccccc1)Sc1ccccc1.
What is the InChIKey of 1-phenyl-N-phenylsulfanylmethanimine oxide?
The InChIKey is DTGCDCMHPADAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NOS/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1-phenyl-N-phenylsulfanylmethanimine oxide?
1-phenyl-N-phenylsulfanylmethanimine oxide has a molecular weight of 229.30 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-phenylsulfanylmethanimine oxide is sourced from PubChem (CID 150091128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).