CID 68792488

C7H7LiNO2S — CID 68792488

IUPAC—
SMILESO=C(O)c1nc(C2CC2)cs1.[Li]
InChIInChI=1S/C7H7NO2S.Li/c9-7(10)6-8-5(3-11-6)4-1-2-4;/h3-4H,1-2H2,(H,9,10);
InChIKeyGFSHZEXWCMTTKX-UHFFFAOYSA-N
MW176.15 g/mol
LogP1.34
Rot. Bonds2

About CID 68792488

CID 68792488 (PubChem CID 68792488) has the molecular formula C7H7LiNO2S and a molecular weight of 176.15 g/mol.

Molecular Properties

Compound NameCID 68792488
PubChem CID68792488
Molecular FormulaC7H7LiNO2S
Molecular Weight176.15 g/mol
Exact Mass176.04
IUPAC Name—
SMILESO=C(O)c1nc(C2CC2)cs1.[Li]
InChIInChI=1S/C7H7NO2S.Li/c9-7(10)6-8-5(3-11-6)4-1-2-4;/h3-4H,1-2H2,(H,9,10);
InChIKeyGFSHZEXWCMTTKX-UHFFFAOYSA-N
XLogP1.34
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.15
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 68792488?
The IUPAC name of CID 68792488 (CID 68792488) is not available.
What is the SMILES notation for CID 68792488?
The canonical SMILES for CID 68792488 is O=C(O)c1nc(C2CC2)cs1.[Li].
What is the InChIKey of CID 68792488?
The InChIKey is GFSHZEXWCMTTKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S.Li/c9-7(10)6-8-5(3-11-6)4-1-2-4;/h3-4H,1-2H2,(H,9,10);.
What are the key properties of CID 68792488?
CID 68792488 has a molecular weight of 176.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 68792488 is sourced from PubChem (CID 68792488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).