CID 57435787

C6H5O2S — CID 57435787

IUPAC—
SMILES[O]SOc1ccccc1
InChIInChI=1S/C6H5O2S/c7-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyVNWYPYRAVMNKIO-UHFFFAOYSA-N
MW141.17 g/mol
LogP2.06
Rot. Bonds2

About CID 57435787

CID 57435787 (PubChem CID 57435787) has the molecular formula C6H5O2S and a molecular weight of 141.17 g/mol.

Molecular Properties

Compound NameCID 57435787
PubChem CID57435787
Molecular FormulaC6H5O2S
Molecular Weight141.17 g/mol
Exact Mass141.00
IUPAC Name—
SMILES[O]SOc1ccccc1
InChIInChI=1S/C6H5O2S/c7-9-8-6-4-2-1-3-5-6/h1-5H
InChIKeyVNWYPYRAVMNKIO-UHFFFAOYSA-N
XLogP2.06
TPSA29.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 57435787?
The IUPAC name of CID 57435787 (CID 57435787) is not available.
What is the SMILES notation for CID 57435787?
The canonical SMILES for CID 57435787 is [O]SOc1ccccc1.
What is the InChIKey of CID 57435787?
The InChIKey is VNWYPYRAVMNKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5O2S/c7-9-8-6-4-2-1-3-5-6/h1-5H.
What are the key properties of CID 57435787?
CID 57435787 has a molecular weight of 141.17 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57435787 is sourced from PubChem (CID 57435787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).