1-(4-aminosulfanylphenyl)ethanone;ethane

C10H15NOS — CID 142198565

IUPAC1-(4-aminosulfanylphenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(SN)cc1
InChIInChI=1S/C8H9NOS.C2H6/c1-6(10)7-2-4-8(11-9)5-3-7;1-2/h2-5H,9H2,1H3;1-2H3
InChIKeyPOXHNTWKAMBEJQ-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.88
Rot. Bonds2

About 1-(4-aminosulfanylphenyl)ethanone;ethane

1-(4-aminosulfanylphenyl)ethanone;ethane (PubChem CID 142198565) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-(4-aminosulfanylphenyl)ethanone;ethane.

Molecular Properties

Compound Name1-(4-aminosulfanylphenyl)ethanone;ethane
PubChem CID142198565
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name1-(4-aminosulfanylphenyl)ethanone;ethane
SMILESCC.CC(=O)c1ccc(SN)cc1
InChIInChI=1S/C8H9NOS.C2H6/c1-6(10)7-2-4-8(11-9)5-3-7;1-2/h2-5H,9H2,1H3;1-2H3
InChIKeyPOXHNTWKAMBEJQ-UHFFFAOYSA-N
XLogP2.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-aminosulfanylphenyl)ethanone;ethane 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

1-(4-aminosulfanylphenyl)ethanone
CID 129026728
1-[4-(4-acetylphenyl)sulfanylphenyl]ethanone
CID 520243
1-(4-acetylphenyl)ethanone;methane
CID 159515104
4-aminosulfanylbenzamide
CID 22301586
1-[4-[amino-(methylidene-λ4-sulfanylidene)methyl]phenyl]ethanone
CID 166872049
tris[4-(4-acetylphenyl)sulfanylphenyl]sulfanium
CID 44622255
1-[4-(4-iodophenyl)sulfanylphenyl]ethanone
CID 71026335
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
[4-(4-acetylphenyl)sulfanylphenyl]sulfanium hexafluorophosphate
CID 142605531
ethane;1-(4-iodophenyl)ethanone
CID 159760217
(4-aminosulfanylphenyl)-phenylmethanone
CID 174353142
4-acetyl(11C)benzoic acid
CID 11205952

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminosulfanylphenyl)ethanone;ethane?
The IUPAC name of 1-(4-aminosulfanylphenyl)ethanone;ethane (CID 142198565) is 1-(4-aminosulfanylphenyl)ethanone;ethane.
What is the SMILES notation for 1-(4-aminosulfanylphenyl)ethanone;ethane?
The canonical SMILES for 1-(4-aminosulfanylphenyl)ethanone;ethane is CC.CC(=O)c1ccc(SN)cc1.
What is the InChIKey of 1-(4-aminosulfanylphenyl)ethanone;ethane?
The InChIKey is POXHNTWKAMBEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NOS.C2H6/c1-6(10)7-2-4-8(11-9)5-3-7;1-2/h2-5H,9H2,1H3;1-2H3.
What are the key properties of 1-(4-aminosulfanylphenyl)ethanone;ethane?
1-(4-aminosulfanylphenyl)ethanone;ethane has a molecular weight of 197.30 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminosulfanylphenyl)ethanone;ethane is sourced from PubChem (CID 142198565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).