CID 139733144

C17H15O2S+ — CID 139733144

IUPAC—
SMILESC[S+](=O)(C#Cc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C17H15O2S/c1-20(19,13-12-15-8-4-2-5-9-15)14-17(18)16-10-6-3-7-11-16/h2-11H,14H2,1H3/q+1
InChIKeyXRVYGKWOVXFTNW-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.01
Rot. Bonds3

About CID 139733144

CID 139733144 (PubChem CID 139733144) has the molecular formula C17H15O2S+ and a molecular weight of 283.37 g/mol.

Molecular Properties

Compound NameCID 139733144
PubChem CID139733144
Molecular FormulaC17H15O2S+
Molecular Weight283.37 g/mol
Exact Mass283.08
IUPAC Name—
SMILESC[S+](=O)(C#Cc1ccccc1)CC(=O)c1ccccc1
InChIInChI=1S/C17H15O2S/c1-20(19,13-12-15-8-4-2-5-9-15)14-17(18)16-10-6-3-7-11-16/h2-11H,14H2,1H3/q+1
InChIKeyXRVYGKWOVXFTNW-UHFFFAOYSA-N
XLogP3.01
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze CID 139733144 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

CID 139733367
CID 139733367
CID 139732845
CID 139732845
CID 139733506
CID 139733506
CID 139733184
CID 139733184
N-phenacyl-3-phenylprop-2-ynamide
CID 155676279
3-(4-bromophenyl)-1,5-diphenylpent-4-yn-1-one
CID 71723905
benzene;2-hydroxy-1-phenylethanone
CID 174663024
4-(4-bromophenyl)-2-ethyl-2-methyl-1-phenylbut-3-yn-1-one
CID 164681125
1,7-diphenylhepta-1,6-diyne-3,5-dione
CID 118147501
S-(2-phenylethynyl) 3-phenylprop-2-ynethioate
CID 102375155
CID 139732808
CID 139732808
azane;2-hydroxy-1-phenylethanone
CID 161228887

Frequently Asked Questions

What is the IUPAC name of CID 139733144?
The IUPAC name of CID 139733144 (CID 139733144) is not available.
What is the SMILES notation for CID 139733144?
The canonical SMILES for CID 139733144 is C[S+](=O)(C#Cc1ccccc1)CC(=O)c1ccccc1.
What is the InChIKey of CID 139733144?
The InChIKey is XRVYGKWOVXFTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15O2S/c1-20(19,13-12-15-8-4-2-5-9-15)14-17(18)16-10-6-3-7-11-16/h2-11H,14H2,1H3/q+1.
What are the key properties of CID 139733144?
CID 139733144 has a molecular weight of 283.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139733144 is sourced from PubChem (CID 139733144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).