1-[4-(sulfanylamino)phenyl]ethanone

C8H9NOS — CID 143142211

IUPAC1-[4-(sulfanylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NS)cc1
InChIInChI=1S/C8H9NOS/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5,9,11H,1H3
InChIKeyGJWPTFKJTNZCJH-UHFFFAOYSA-N
MW167.23 g/mol
LogP2.15
Rot. Bonds2

About 1-[4-(sulfanylamino)phenyl]ethanone

1-[4-(sulfanylamino)phenyl]ethanone (PubChem CID 143142211) has the molecular formula C8H9NOS and a molecular weight of 167.23 g/mol. Its IUPAC name is 1-[4-(sulfanylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(sulfanylamino)phenyl]ethanone
PubChem CID143142211
Molecular FormulaC8H9NOS
Molecular Weight167.23 g/mol
Exact Mass167.04
IUPAC Name1-[4-(sulfanylamino)phenyl]ethanone
SMILESCC(=O)c1ccc(NS)cc1
InChIInChI=1S/C8H9NOS/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5,9,11H,1H3
InChIKeyGJWPTFKJTNZCJH-UHFFFAOYSA-N
XLogP2.15
TPSA29.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[4-(chloroamino)phenyl]ethanone
CID 140987111
1-(4-acetylphenyl)ethanone;methane
CID 159515104
N-(4-acetylphenyl)acetamide;fluoromethane
CID 160517938
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-[4-[(1-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 142294720
1-[4-(4-bromoanilino)phenyl]ethanone
CID 11543832
acetic acid;1-(4-sulfanylphenyl)ethanone
CID 21280613
1-[4-(4-acetylphenyl)tellanylphenyl]ethanone
CID 15685304
1-[4-(propylamino)phenyl]ethanone
CID 7304598
1-[4-[(4-acetylphenyl)sulfamoylsulfamoylamino]phenyl]ethanone
CID 12781230
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
1-[4-[(4-methylpiperazin-1-yl)amino]phenyl]ethanone
CID 114468369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(sulfanylamino)phenyl]ethanone?
The IUPAC name of 1-[4-(sulfanylamino)phenyl]ethanone (CID 143142211) is 1-[4-(sulfanylamino)phenyl]ethanone.
What is the SMILES notation for 1-[4-(sulfanylamino)phenyl]ethanone?
The canonical SMILES for 1-[4-(sulfanylamino)phenyl]ethanone is CC(=O)c1ccc(NS)cc1.
What is the InChIKey of 1-[4-(sulfanylamino)phenyl]ethanone?
The InChIKey is GJWPTFKJTNZCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS/c1-6(10)7-2-4-8(9-11)5-3-7/h2-5,9,11H,1H3.
What are the key properties of 1-[4-(sulfanylamino)phenyl]ethanone?
1-[4-(sulfanylamino)phenyl]ethanone has a molecular weight of 167.23 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(sulfanylamino)phenyl]ethanone is sourced from PubChem (CID 143142211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).