5-anilinothiophen-3-one

C10H9NOS — CID 12703092

IUPAC5-anilinothiophen-3-one
SMILESO=C1C=C(Nc2ccccc2)SC1
InChIInChI=1S/C10H9NOS/c12-9-6-10(13-7-9)11-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyRAYKYACEHHVKPD-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.26
Rot. Bonds2

About 5-anilinothiophen-3-one

5-anilinothiophen-3-one (PubChem CID 12703092) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 5-anilinothiophen-3-one.

Molecular Properties

Compound Name5-anilinothiophen-3-one
PubChem CID12703092
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name5-anilinothiophen-3-one
SMILESO=C1C=C(Nc2ccccc2)SC1
InChIInChI=1S/C10H9NOS/c12-9-6-10(13-7-9)11-8-4-2-1-3-5-8/h1-6,11H,7H2
InChIKeyRAYKYACEHHVKPD-UHFFFAOYSA-N
XLogP2.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Thioglycolic acid anilide
CID 10382
Nsc190763
CID 302991
Carbamothioic acid, S-[2-oxo-2-(phenylamino)ethyl] ester
CID 224656
4-Phenylamino-3-penten-2-one
CID 5705329
1-(4-Methyl-3-phenyl-2-thioxo-2,3-dihydro-1,3-thiazol-5-yl)ethanone
CID 3727641
S-(3-anilino-3-oxopropyl) ethanethioate
CID 891011
S-Methyl N-phenylcarbamothioate
CID 26074
2-(cyanomethylsulfanyl)-N-phenylacetamide
CID 1642466
Thiocarbanilic acid, S-cyclohexyl ester
CID 220328
S-(3-anilino-1-methyl-3-oxopropyl) ethanethioate
CID 2828747
5-(3,4-Dimethylanilino)thiophen-3-one
CID 72711038
(E)-4-(phenylamino)pent-3-en-2-one
CID 325909

Frequently Asked Questions

What is the IUPAC name of 5-anilinothiophen-3-one?
The IUPAC name of 5-anilinothiophen-3-one (CID 12703092) is 5-anilinothiophen-3-one.
What is the SMILES notation for 5-anilinothiophen-3-one?
The canonical SMILES for 5-anilinothiophen-3-one is O=C1C=C(Nc2ccccc2)SC1.
What is the InChIKey of 5-anilinothiophen-3-one?
The InChIKey is RAYKYACEHHVKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c12-9-6-10(13-7-9)11-8-4-2-1-3-5-8/h1-6,11H,7H2.
What are the key properties of 5-anilinothiophen-3-one?
5-anilinothiophen-3-one has a molecular weight of 191.26 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-anilinothiophen-3-one is sourced from PubChem (CID 12703092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).