CID 58450291

C10H10OS — CID 58450291

IUPAC—
SMILES[CH]OC1CCSc2ccccc21
InChIInChI=1S/C10H10OS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h1-5,9H,6-7H2
InChIKeyGRXHJLNDYRQUEZ-UHFFFAOYSA-N
MW178.26 g/mol
LogP2.91
Rot. Bonds1

About CID 58450291

CID 58450291 (PubChem CID 58450291) has the molecular formula C10H10OS and a molecular weight of 178.26 g/mol.

Molecular Properties

Compound NameCID 58450291
PubChem CID58450291
Molecular FormulaC10H10OS
Molecular Weight178.26 g/mol
Exact Mass178.05
IUPAC Name—
SMILES[CH]OC1CCSc2ccccc21
InChIInChI=1S/C10H10OS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h1-5,9H,6-7H2
InChIKeyGRXHJLNDYRQUEZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 58450291?
The IUPAC name of CID 58450291 (CID 58450291) is not available.
What is the SMILES notation for CID 58450291?
The canonical SMILES for CID 58450291 is [CH]OC1CCSc2ccccc21.
What is the InChIKey of CID 58450291?
The InChIKey is GRXHJLNDYRQUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS/c1-11-9-6-7-12-10-5-3-2-4-8(9)10/h1-5,9H,6-7H2.
What are the key properties of CID 58450291?
CID 58450291 has a molecular weight of 178.26 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58450291 is sourced from PubChem (CID 58450291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).