(Z)-N-phenylsulfanylethanimine

C8H9NS — CID 131990449

IUPAC(Z)-N-phenylsulfanylethanimine
SMILESC/C=N\Sc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3/b9-2-
InChIKeyPFPFMHKOYISZFJ-MBXJOHMKSA-N
MW151.23 g/mol
LogP2.78
Rot. Bonds2

About (Z)-N-phenylsulfanylethanimine

(Z)-N-phenylsulfanylethanimine (PubChem CID 131990449) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is (Z)-N-phenylsulfanylethanimine.

Molecular Properties

Compound Name(Z)-N-phenylsulfanylethanimine
PubChem CID131990449
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name(Z)-N-phenylsulfanylethanimine
SMILESC/C=N\Sc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3/b9-2-
InChIKeyPFPFMHKOYISZFJ-MBXJOHMKSA-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 (Z)-N-phenylsulfanylethanimine?
The IUPAC name of (Z)-N-phenylsulfanylethanimine (CID 131990449) is (Z)-N-phenylsulfanylethanimine.
What is the SMILES notation for (Z)-N-phenylsulfanylethanimine?
The canonical SMILES for (Z)-N-phenylsulfanylethanimine is C/C=N\Sc1ccccc1.
What is the InChIKey of (Z)-N-phenylsulfanylethanimine?
The InChIKey is PFPFMHKOYISZFJ-MBXJOHMKSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-9-10-8-6-4-3-5-7-8/h2-7H,1H3/b9-2-.
What are the key properties of (Z)-N-phenylsulfanylethanimine?
(Z)-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 (Z)-N-phenylsulfanylethanimine is sourced from PubChem (CID 131990449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).