CID 139733044

C20H19OS+ — CID 139733044

IUPAC—
SMILESC[S+](=O)(Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H19OS/c1-22(21,20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3/q+1
InChIKeyWBOJCANVKWGVHP-UHFFFAOYSA-N
MW307.44 g/mol
LogP5.04
Rot. Bonds4

About CID 139733044

CID 139733044 (PubChem CID 139733044) has the molecular formula C20H19OS+ and a molecular weight of 307.44 g/mol.

Molecular Properties

Compound NameCID 139733044
PubChem CID139733044
Molecular FormulaC20H19OS+
Molecular Weight307.44 g/mol
Exact Mass307.12
IUPAC Name—
SMILESC[S+](=O)(Cc1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C20H19OS/c1-22(21,20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3/q+1
InChIKeyWBOJCANVKWGVHP-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.44
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 139733237
CID 139733237
CID 139733468
CID 139733468
CID 139733053
CID 139733053
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CID 18982406
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CID 175126841
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Frequently Asked Questions

What is the IUPAC name of CID 139733044?
The IUPAC name of CID 139733044 (CID 139733044) is not available.
What is the SMILES notation for CID 139733044?
The canonical SMILES for CID 139733044 is C[S+](=O)(Cc1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of CID 139733044?
The InChIKey is WBOJCANVKWGVHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19OS/c1-22(21,20-10-6-3-7-11-20)16-17-12-14-19(15-13-17)18-8-4-2-5-9-18/h2-15H,16H2,1H3/q+1.
What are the key properties of CID 139733044?
CID 139733044 has a molecular weight of 307.44 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 139733044 is sourced from PubChem (CID 139733044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).