3-phenyl-2-phenylsulfanyl-2H-azirine

C14H11NS — CID 11436061

IUPAC3-phenyl-2-phenylsulfanyl-2H-azirine
SMILESc1ccc(SC2N=C2c2ccccc2)cc1
InChIInChI=1S/C14H11NS/c1-3-7-11(8-4-1)13-14(15-13)16-12-9-5-2-6-10-12/h1-10,14H
InChIKeyVDLYFXRBWJDFKW-UHFFFAOYSA-N
MW225.32 g/mol
LogP3.61
Rot. Bonds3

About 3-phenyl-2-phenylsulfanyl-2H-azirine

3-phenyl-2-phenylsulfanyl-2H-azirine (PubChem CID 11436061) has the molecular formula C14H11NS and a molecular weight of 225.32 g/mol. Its IUPAC name is 3-phenyl-2-phenylsulfanyl-2H-azirine.

Molecular Properties

Compound Name3-phenyl-2-phenylsulfanyl-2H-azirine
PubChem CID11436061
Molecular FormulaC14H11NS
Molecular Weight225.32 g/mol
Exact Mass225.06
IUPAC Name3-phenyl-2-phenylsulfanyl-2H-azirine
SMILESc1ccc(SC2N=C2c2ccccc2)cc1
InChIInChI=1S/C14H11NS/c1-3-7-11(8-4-1)13-14(15-13)16-12-9-5-2-6-10-12/h1-10,14H
InChIKeyVDLYFXRBWJDFKW-UHFFFAOYSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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(NZ)-N-(1-phenyl-2-phenylsulfanylethylidene)hydroxylamine
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4,5-Dihydro-4-benzyl-2-phenyl thiazole
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Diphenylthiazoline
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CID 15891849
CID 15891849
2-(phenylsulfanylmethyl)-3,3a,4,5,6,7-hexahydro-2H-indole
CID 101052267
N-[(1S)-2-cyclopenta-1,3-dien-1-ylsulfanyl-1-phenylethyl]-1-phenylmethanimine
CID 134867271
5-phenyl-2-(2-phenylsulfanylpropan-2-yl)-3,4-dihydro-2H-pyrrole
CID 162407809
CID 162412032
CID 162412032
2-phenyl-3-thiophen-2-yl-2H-azirine
CID 177851232
5-(4-Fluorophenyl)-2-phenyl-4,5-dihydro-1,3-thiazole
CID 132573166
2-(4-Fluorophenyl)-5-phenyl-4,5-dihydro-1,3-thiazole
CID 132573175

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-phenylsulfanyl-2H-azirine?
The IUPAC name of 3-phenyl-2-phenylsulfanyl-2H-azirine (CID 11436061) is 3-phenyl-2-phenylsulfanyl-2H-azirine.
What is the SMILES notation for 3-phenyl-2-phenylsulfanyl-2H-azirine?
The canonical SMILES for 3-phenyl-2-phenylsulfanyl-2H-azirine is c1ccc(SC2N=C2c2ccccc2)cc1.
What is the InChIKey of 3-phenyl-2-phenylsulfanyl-2H-azirine?
The InChIKey is VDLYFXRBWJDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NS/c1-3-7-11(8-4-1)13-14(15-13)16-12-9-5-2-6-10-12/h1-10,14H.
What are the key properties of 3-phenyl-2-phenylsulfanyl-2H-azirine?
3-phenyl-2-phenylsulfanyl-2H-azirine has a molecular weight of 225.32 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-phenylsulfanyl-2H-azirine is sourced from PubChem (CID 11436061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).