CID 69117879

C7H7NNaOS — CID 69117879

IUPAC—
SMILESO=S1CNc2ccccc21.[Na]
InChIInChI=1S/C7H7NOS.Na/c9-10-5-8-6-3-1-2-4-7(6)10;/h1-4,8H,5H2;
InChIKeyYOJFNBASDLJBOM-UHFFFAOYSA-N
MW176.20 g/mol
LogP0.80
Rot. Bonds

About CID 69117879

CID 69117879 (PubChem CID 69117879) has the molecular formula C7H7NNaOS and a molecular weight of 176.20 g/mol.

Molecular Properties

Compound NameCID 69117879
PubChem CID69117879
Molecular FormulaC7H7NNaOS
Molecular Weight176.20 g/mol
Exact Mass176.01
IUPAC Name—
SMILESO=S1CNc2ccccc21.[Na]
InChIInChI=1S/C7H7NOS.Na/c9-10-5-8-6-3-1-2-4-7(6)10;/h1-4,8H,5H2;
InChIKeyYOJFNBASDLJBOM-UHFFFAOYSA-N
XLogP0.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 69117879?
The IUPAC name of CID 69117879 (CID 69117879) is not available.
What is the SMILES notation for CID 69117879?
The canonical SMILES for CID 69117879 is O=S1CNc2ccccc21.[Na].
What is the InChIKey of CID 69117879?
The InChIKey is YOJFNBASDLJBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NOS.Na/c9-10-5-8-6-3-1-2-4-7(6)10;/h1-4,8H,5H2;.
What are the key properties of CID 69117879?
CID 69117879 has a molecular weight of 176.20 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69117879 is sourced from PubChem (CID 69117879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).