2-benzylsulfanyl-3H-1-benzazepine

C17H15NS — CID 57201730

IUPAC2-benzylsulfanyl-3H-1-benzazepine
SMILESC1=Cc2ccccc2N=C(SCc2ccccc2)C1
InChIInChI=1S/C17H15NS/c1-2-7-14(8-3-1)13-19-17-12-6-10-15-9-4-5-11-16(15)18-17/h1-11H,12-13H2
InChIKeyFAOGANCYVMRKQJ-UHFFFAOYSA-N
MW265.38 g/mol
LogP5.07
Rot. Bonds2

About 2-benzylsulfanyl-3H-1-benzazepine

2-benzylsulfanyl-3H-1-benzazepine (PubChem CID 57201730) has the molecular formula C17H15NS and a molecular weight of 265.38 g/mol. Its IUPAC name is 2-benzylsulfanyl-3H-1-benzazepine.

Molecular Properties

Compound Name2-benzylsulfanyl-3H-1-benzazepine
PubChem CID57201730
Molecular FormulaC17H15NS
Molecular Weight265.38 g/mol
Exact Mass265.09
IUPAC Name2-benzylsulfanyl-3H-1-benzazepine
SMILESC1=Cc2ccccc2N=C(SCc2ccccc2)C1
InChIInChI=1S/C17H15NS/c1-2-7-14(8-3-1)13-19-17-12-6-10-15-9-4-5-11-16(15)18-17/h1-11H,12-13H2
InChIKeyFAOGANCYVMRKQJ-UHFFFAOYSA-N
XLogP5.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.38
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfanyl-3H-1-benzazepine?
The IUPAC name of 2-benzylsulfanyl-3H-1-benzazepine (CID 57201730) is 2-benzylsulfanyl-3H-1-benzazepine.
What is the SMILES notation for 2-benzylsulfanyl-3H-1-benzazepine?
The canonical SMILES for 2-benzylsulfanyl-3H-1-benzazepine is C1=Cc2ccccc2N=C(SCc2ccccc2)C1.
What is the InChIKey of 2-benzylsulfanyl-3H-1-benzazepine?
The InChIKey is FAOGANCYVMRKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NS/c1-2-7-14(8-3-1)13-19-17-12-6-10-15-9-4-5-11-16(15)18-17/h1-11H,12-13H2.
What are the key properties of 2-benzylsulfanyl-3H-1-benzazepine?
2-benzylsulfanyl-3H-1-benzazepine has a molecular weight of 265.38 g/mol, XLogP of 5.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfanyl-3H-1-benzazepine is sourced from PubChem (CID 57201730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).