CID 91872170

C8H9O2S — CID 91872170

IUPAC—
SMILESCCc1ccc([S](=O)=O)cc1
InChIInChI=1S/C8H9O2S/c1-2-7-3-5-8(6-4-7)11(9)10/h3-6H,2H2,1H3
InChIKeyGGXHVSCZTYUBSQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP1.49
Rot. Bonds2

About CID 91872170

CID 91872170 (PubChem CID 91872170) has the molecular formula C8H9O2S and a molecular weight of 169.22 g/mol.

Molecular Properties

Compound NameCID 91872170
PubChem CID91872170
Molecular FormulaC8H9O2S
Molecular Weight169.22 g/mol
Exact Mass169.03
IUPAC Name—
SMILESCCc1ccc([S](=O)=O)cc1
InChIInChI=1S/C8H9O2S/c1-2-7-3-5-8(6-4-7)11(9)10/h3-6H,2H2,1H3
InChIKeyGGXHVSCZTYUBSQ-UHFFFAOYSA-N
XLogP1.49
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 91872170?
The IUPAC name of CID 91872170 (CID 91872170) is not available.
What is the SMILES notation for CID 91872170?
The canonical SMILES for CID 91872170 is CCc1ccc([S](=O)=O)cc1.
What is the InChIKey of CID 91872170?
The InChIKey is GGXHVSCZTYUBSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2S/c1-2-7-3-5-8(6-4-7)11(9)10/h3-6H,2H2,1H3.
What are the key properties of CID 91872170?
CID 91872170 has a molecular weight of 169.22 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 91872170 is sourced from PubChem (CID 91872170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).