CID 45480495

C5H5NNaO2S — CID 45480495

IUPAC—
SMILESCc1cnc(C(=O)O)s1.[Na]
InChIInChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);
InChIKeyDUODUJHXTFMGTC-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.77
Rot. Bonds1

About CID 45480495

CID 45480495 (PubChem CID 45480495) has the molecular formula C5H5NNaO2S and a molecular weight of 166.16 g/mol.

Molecular Properties

Compound NameCID 45480495
PubChem CID45480495
Molecular FormulaC5H5NNaO2S
Molecular Weight166.16 g/mol
Exact Mass165.99
IUPAC Name—
SMILESCc1cnc(C(=O)O)s1.[Na]
InChIInChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);
InChIKeyDUODUJHXTFMGTC-UHFFFAOYSA-N
XLogP0.77
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 45480495?
The IUPAC name of CID 45480495 (CID 45480495) is not available.
What is the SMILES notation for CID 45480495?
The canonical SMILES for CID 45480495 is Cc1cnc(C(=O)O)s1.[Na].
What is the InChIKey of CID 45480495?
The InChIKey is DUODUJHXTFMGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S.Na/c1-3-2-6-4(9-3)5(7)8;/h2H,1H3,(H,7,8);.
What are the key properties of CID 45480495?
CID 45480495 has a molecular weight of 166.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 45480495 is sourced from PubChem (CID 45480495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).