CID 67905364

C8H6NaOS2 — CID 67905364

IUPAC—
SMILES[Na].c1csc(Oc2cccs2)c1
InChIInChI=1S/C8H6OS2.Na/c1-3-7(10-5-1)9-8-4-2-6-11-8;/h1-6H;
InChIKeyJGRILLPKTDDGEE-UHFFFAOYSA-N
MW205.26 g/mol
LogP3.22
Rot. Bonds2

About CID 67905364

CID 67905364 (PubChem CID 67905364) has the molecular formula C8H6NaOS2 and a molecular weight of 205.26 g/mol.

Molecular Properties

Compound NameCID 67905364
PubChem CID67905364
Molecular FormulaC8H6NaOS2
Molecular Weight205.26 g/mol
Exact Mass204.98
IUPAC Name—
SMILES[Na].c1csc(Oc2cccs2)c1
InChIInChI=1S/C8H6OS2.Na/c1-3-7(10-5-1)9-8-4-2-6-11-8;/h1-6H;
InChIKeyJGRILLPKTDDGEE-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 67905364?
The IUPAC name of CID 67905364 (CID 67905364) is not available.
What is the SMILES notation for CID 67905364?
The canonical SMILES for CID 67905364 is [Na].c1csc(Oc2cccs2)c1.
What is the InChIKey of CID 67905364?
The InChIKey is JGRILLPKTDDGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6OS2.Na/c1-3-7(10-5-1)9-8-4-2-6-11-8;/h1-6H;.
What are the key properties of CID 67905364?
CID 67905364 has a molecular weight of 205.26 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 67905364 is sourced from PubChem (CID 67905364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).