CID 146598306

C12H8N2NaO2S — CID 146598306

IUPAC—
SMILESO=c1cc(O)nc(-c2csc3ccccc23)[nH]1.[Na]
InChIInChI=1S/C12H8N2O2S.Na/c15-10-5-11(16)14-12(13-10)8-6-17-9-4-2-1-3-7(8)9;/h1-6H,(H2,13,14,15,16);
InChIKeyWMGKQTZFKMSWGE-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.98
Rot. Bonds1

About CID 146598306

CID 146598306 (PubChem CID 146598306) has the molecular formula C12H8N2NaO2S and a molecular weight of 267.26 g/mol.

Molecular Properties

Compound NameCID 146598306
PubChem CID146598306
Molecular FormulaC12H8N2NaO2S
Molecular Weight267.26 g/mol
Exact Mass267.02
IUPAC Name—
SMILESO=c1cc(O)nc(-c2csc3ccccc23)[nH]1.[Na]
InChIInChI=1S/C12H8N2O2S.Na/c15-10-5-11(16)14-12(13-10)8-6-17-9-4-2-1-3-7(8)9;/h1-6H,(H2,13,14,15,16);
InChIKeyWMGKQTZFKMSWGE-UHFFFAOYSA-N
XLogP1.98
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 146598306?
The IUPAC name of CID 146598306 (CID 146598306) is not available.
What is the SMILES notation for CID 146598306?
The canonical SMILES for CID 146598306 is O=c1cc(O)nc(-c2csc3ccccc23)[nH]1.[Na].
What is the InChIKey of CID 146598306?
The InChIKey is WMGKQTZFKMSWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O2S.Na/c15-10-5-11(16)14-12(13-10)8-6-17-9-4-2-1-3-7(8)9;/h1-6H,(H2,13,14,15,16);.
What are the key properties of CID 146598306?
CID 146598306 has a molecular weight of 267.26 g/mol, XLogP of 1.98, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146598306 is sourced from PubChem (CID 146598306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).