CID 91156277

C8H6BOS2 — CID 91156277

IUPAC—
SMILES[B](Oc1cccs1)c1cccs1
InChIInChI=1S/C8H6BOS2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H
InChIKeyMFUYJAASRZILGD-UHFFFAOYSA-N
MW193.08 g/mol
LogP2.13
Rot. Bonds3

About CID 91156277

CID 91156277 (PubChem CID 91156277) has the molecular formula C8H6BOS2 and a molecular weight of 193.08 g/mol.

Molecular Properties

Compound NameCID 91156277
PubChem CID91156277
Molecular FormulaC8H6BOS2
Molecular Weight193.08 g/mol
Exact Mass193.00
IUPAC Name—
SMILES[B](Oc1cccs1)c1cccs1
InChIInChI=1S/C8H6BOS2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H
InChIKeyMFUYJAASRZILGD-UHFFFAOYSA-N
XLogP2.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 91156277?
The IUPAC name of CID 91156277 (CID 91156277) is not available.
What is the SMILES notation for CID 91156277?
The canonical SMILES for CID 91156277 is [B](Oc1cccs1)c1cccs1.
What is the InChIKey of CID 91156277?
The InChIKey is MFUYJAASRZILGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BOS2/c1-3-7(11-5-1)9-10-8-4-2-6-12-8/h1-6H.
What are the key properties of CID 91156277?
CID 91156277 has a molecular weight of 193.08 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91156277 is sourced from PubChem (CID 91156277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).