N-phenylsulfanylethanimine

C8H9NS — CID 54186710

IUPACN-phenylsulfanylethanimine
SMILESCC=NSc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3
InChIKeyPFPFMHKOYISZFJ-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.78
Rot. Bonds2

About N-phenylsulfanylethanimine

N-phenylsulfanylethanimine (PubChem CID 54186710) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is N-phenylsulfanylethanimine.

Molecular Properties

Compound NameN-phenylsulfanylethanimine
PubChem CID54186710
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameN-phenylsulfanylethanimine
SMILESCC=NSc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3
InChIKeyPFPFMHKOYISZFJ-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_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 N-phenylsulfanylethanimine?
The IUPAC name of N-phenylsulfanylethanimine (CID 54186710) is N-phenylsulfanylethanimine.
What is the SMILES notation for N-phenylsulfanylethanimine?
The canonical SMILES for N-phenylsulfanylethanimine is CC=NSc1ccccc1.
What is the InChIKey of N-phenylsulfanylethanimine?
The InChIKey is PFPFMHKOYISZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3.
What are the key properties of N-phenylsulfanylethanimine?
N-phenylsulfanylethanimine has a molecular weight of 151.23 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenylsulfanylethanimine is sourced from PubChem (CID 54186710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).