(amino-ethylidene-oxo-λ6-sulfanyl)benzene

C8H11NOS — CID 91607483

IUPAC(amino-ethylidene-oxo-λ6-sulfanyl)benzene
SMILESCC=S(N)(=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,9,10)
InChIKeyLWIVXQSNQMTOKJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.03
Rot. Bonds1

About (amino-ethylidene-oxo-λ6-sulfanyl)benzene

(amino-ethylidene-oxo-λ6-sulfanyl)benzene (PubChem CID 91607483) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is (amino-ethylidene-oxo-λ6-sulfanyl)benzene.

Molecular Properties

Compound Name(amino-ethylidene-oxo-λ6-sulfanyl)benzene
PubChem CID91607483
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name(amino-ethylidene-oxo-λ6-sulfanyl)benzene
SMILESCC=S(N)(=O)c1ccccc1
InChIInChI=1S/C8H11NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,9,10)
InChIKeyLWIVXQSNQMTOKJ-UHFFFAOYSA-N
XLogP1.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (amino-ethylidene-oxo-λ6-sulfanyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzenesulfonamide;methanol
CID 23223292
benzenesulfonamide;2-methylpropane
CID 157350693
benzenesulfonylbenzene;ethane;methanol
CID 123145310
disodium;benzenesulfonamide;hydride
CID 174402178
but-2-en-2-ylsulfonylbenzene
CID 85377514
benzenesulfonamide;boric acid
CID 160795607
(N-amino-S-methylsulfonimidoyl)benzene
CID 129116146
[(E)-4,4-dimethylpent-1-enyl]sulfonylbenzene
CID 101203977
benzenesulfonic acid;formamide
CID 161208956
N-sulfamoylbenzenesulfonamide
CID 54343510
benzene;benzenesulfonate;ethane
CID 157453988
benzenesulfonate;ethane
CID 91434520

Frequently Asked Questions

What is the IUPAC name of (amino-ethylidene-oxo-λ6-sulfanyl)benzene?
The IUPAC name of (amino-ethylidene-oxo-λ6-sulfanyl)benzene (CID 91607483) is (amino-ethylidene-oxo-λ6-sulfanyl)benzene.
What is the SMILES notation for (amino-ethylidene-oxo-λ6-sulfanyl)benzene?
The canonical SMILES for (amino-ethylidene-oxo-λ6-sulfanyl)benzene is CC=S(N)(=O)c1ccccc1.
What is the InChIKey of (amino-ethylidene-oxo-λ6-sulfanyl)benzene?
The InChIKey is LWIVXQSNQMTOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-11(9,10)8-6-4-3-5-7-8/h2-7H,1H3,(H2,9,10).
What are the key properties of (amino-ethylidene-oxo-λ6-sulfanyl)benzene?
(amino-ethylidene-oxo-λ6-sulfanyl)benzene has a molecular weight of 169.25 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (amino-ethylidene-oxo-λ6-sulfanyl)benzene is sourced from PubChem (CID 91607483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).