CID 11594983

C12H11OS — CID 11594983

IUPAC—
SMILESCc1ccc(S(=O)C2=CC=C[CH]2)cc1
InChIInChI=1S/C12H11OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h2-9H,1H3
InChIKeyIFUNUOSJMHSIQU-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.76
Rot. Bonds2

About CID 11594983

CID 11594983 (PubChem CID 11594983) has the molecular formula C12H11OS and a molecular weight of 203.29 g/mol.

Molecular Properties

Compound NameCID 11594983
PubChem CID11594983
Molecular FormulaC12H11OS
Molecular Weight203.29 g/mol
Exact Mass203.05
IUPAC Name—
SMILESCc1ccc(S(=O)C2=CC=C[CH]2)cc1
InChIInChI=1S/C12H11OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h2-9H,1H3
InChIKeyIFUNUOSJMHSIQU-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 11594983?
The IUPAC name of CID 11594983 (CID 11594983) is not available.
What is the SMILES notation for CID 11594983?
The canonical SMILES for CID 11594983 is Cc1ccc(S(=O)C2=CC=C[CH]2)cc1.
What is the InChIKey of CID 11594983?
The InChIKey is IFUNUOSJMHSIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11OS/c1-10-6-8-12(9-7-10)14(13)11-4-2-3-5-11/h2-9H,1H3.
What are the key properties of CID 11594983?
CID 11594983 has a molecular weight of 203.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11594983 is sourced from PubChem (CID 11594983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).