CID 59760320

C8H11O2S — CID 59760320

IUPAC—
SMILESCCC(O)c1sccc1[CH]O
InChIInChI=1S/C8H11O2S/c1-2-7(10)8-6(5-9)3-4-11-8/h3-5,7,9-10H,2H2,1H3
InChIKeyHSNUFYZEIYGFHI-UHFFFAOYSA-N
MW171.24 g/mol
LogP2.07
Rot. Bonds3

About CID 59760320

CID 59760320 (PubChem CID 59760320) has the molecular formula C8H11O2S and a molecular weight of 171.24 g/mol.

Molecular Properties

Compound NameCID 59760320
PubChem CID59760320
Molecular FormulaC8H11O2S
Molecular Weight171.24 g/mol
Exact Mass171.05
IUPAC Name—
SMILESCCC(O)c1sccc1[CH]O
InChIInChI=1S/C8H11O2S/c1-2-7(10)8-6(5-9)3-4-11-8/h3-5,7,9-10H,2H2,1H3
InChIKeyHSNUFYZEIYGFHI-UHFFFAOYSA-N
XLogP2.07
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 59760320?
The IUPAC name of CID 59760320 (CID 59760320) is not available.
What is the SMILES notation for CID 59760320?
The canonical SMILES for CID 59760320 is CCC(O)c1sccc1[CH]O.
What is the InChIKey of CID 59760320?
The InChIKey is HSNUFYZEIYGFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11O2S/c1-2-7(10)8-6(5-9)3-4-11-8/h3-5,7,9-10H,2H2,1H3.
What are the key properties of CID 59760320?
CID 59760320 has a molecular weight of 171.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59760320 is sourced from PubChem (CID 59760320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).