CID 175352264

C9H10BO2S — CID 175352264

IUPAC—
SMILESC1=Cc2ccccc2SC1.O[B]O
InChIInChI=1S/C9H8S.BH2O2/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-6H,7H2;2-3H
InChIKeyPJIKAYAVUSLJIZ-UHFFFAOYSA-N
MW193.06 g/mol
LogP1.31
Rot. Bonds

About CID 175352264

CID 175352264 (PubChem CID 175352264) has the molecular formula C9H10BO2S and a molecular weight of 193.06 g/mol.

Molecular Properties

Compound NameCID 175352264
PubChem CID175352264
Molecular FormulaC9H10BO2S
Molecular Weight193.06 g/mol
Exact Mass193.05
IUPAC Name—
SMILESC1=Cc2ccccc2SC1.O[B]O
InChIInChI=1S/C9H8S.BH2O2/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-6H,7H2;2-3H
InChIKeyPJIKAYAVUSLJIZ-UHFFFAOYSA-N
XLogP1.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 175352264?
The IUPAC name of CID 175352264 (CID 175352264) is not available.
What is the SMILES notation for CID 175352264?
The canonical SMILES for CID 175352264 is C1=Cc2ccccc2SC1.O[B]O.
What is the InChIKey of CID 175352264?
The InChIKey is PJIKAYAVUSLJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8S.BH2O2/c1-2-6-9-8(4-1)5-3-7-10-9;2-1-3/h1-6H,7H2;2-3H.
What are the key properties of CID 175352264?
CID 175352264 has a molecular weight of 193.06 g/mol, XLogP of 1.31, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175352264 is sourced from PubChem (CID 175352264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).