phenyl(phenylsulfanylimino)borane

C12H10BNS — CID 177260806

IUPACphenyl(phenylsulfanylimino)borane
SMILESB(=N/Sc1ccccc1)\c1ccccc1
InChIInChI=1S/C12H10BNS/c1-3-7-11(8-4-1)13-14-15-12-9-5-2-6-10-12/h1-10H
InChIKeyXCPKYLIHKCTOLX-UHFFFAOYSA-N
MW211.10 g/mol
LogP2.91
Rot. Bonds3

About phenyl(phenylsulfanylimino)borane

phenyl(phenylsulfanylimino)borane (PubChem CID 177260806) has the molecular formula C12H10BNS and a molecular weight of 211.10 g/mol. Its IUPAC name is phenyl(phenylsulfanylimino)borane.

Molecular Properties

Compound Namephenyl(phenylsulfanylimino)borane
PubChem CID177260806
Molecular FormulaC12H10BNS
Molecular Weight211.10 g/mol
Exact Mass211.06
IUPAC Namephenyl(phenylsulfanylimino)borane
SMILESB(=N/Sc1ccccc1)\c1ccccc1
InChIInChI=1S/C12H10BNS/c1-3-7-11(8-4-1)13-14-15-12-9-5-2-6-10-12/h1-10H
InChIKeyXCPKYLIHKCTOLX-UHFFFAOYSA-N
XLogP2.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.10
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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 phenyl(phenylsulfanylimino)borane?
The IUPAC name of phenyl(phenylsulfanylimino)borane (CID 177260806) is phenyl(phenylsulfanylimino)borane.
What is the SMILES notation for phenyl(phenylsulfanylimino)borane?
The canonical SMILES for phenyl(phenylsulfanylimino)borane is B(=N/Sc1ccccc1)\c1ccccc1.
What is the InChIKey of phenyl(phenylsulfanylimino)borane?
The InChIKey is XCPKYLIHKCTOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BNS/c1-3-7-11(8-4-1)13-14-15-12-9-5-2-6-10-12/h1-10H.
What are the key properties of phenyl(phenylsulfanylimino)borane?
phenyl(phenylsulfanylimino)borane has a molecular weight of 211.10 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(phenylsulfanylimino)borane is sourced from PubChem (CID 177260806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).