N-ethenylsulfanylaniline

C8H9NS — CID 591971

IUPACN-ethenylsulfanylaniline
SMILESC=CSNc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-10-9-8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyGRUCUHLWECLAGG-UHFFFAOYSA-N
MW151.23 g/mol
LogP2.89
Rot. Bonds3

About N-ethenylsulfanylaniline

N-ethenylsulfanylaniline (PubChem CID 591971) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is N-ethenylsulfanylaniline.

Molecular Properties

Compound NameN-ethenylsulfanylaniline
PubChem CID591971
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC NameN-ethenylsulfanylaniline
SMILESC=CSNc1ccccc1
InChIInChI=1S/C8H9NS/c1-2-10-9-8-6-4-3-5-7-8/h2-7,9H,1H2
InChIKeyGRUCUHLWECLAGG-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethenylsulfanylaniline?
The IUPAC name of N-ethenylsulfanylaniline (CID 591971) is N-ethenylsulfanylaniline.
What is the SMILES notation for N-ethenylsulfanylaniline?
The canonical SMILES for N-ethenylsulfanylaniline is C=CSNc1ccccc1.
What is the InChIKey of N-ethenylsulfanylaniline?
The InChIKey is GRUCUHLWECLAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-2-10-9-8-6-4-3-5-7-8/h2-7,9H,1H2.
What are the key properties of N-ethenylsulfanylaniline?
N-ethenylsulfanylaniline has a molecular weight of 151.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenylsulfanylaniline is sourced from PubChem (CID 591971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).