CID 57440013

C9H6NS — CID 57440013

IUPAC—
SMILES[c]1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,7H
InChIKeyODLGIUMZMIWVOM-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.61
Rot. Bonds1

About CID 57440013

CID 57440013 (PubChem CID 57440013) has the molecular formula C9H6NS and a molecular weight of 160.22 g/mol.

Molecular Properties

Compound NameCID 57440013
PubChem CID57440013
Molecular FormulaC9H6NS
Molecular Weight160.22 g/mol
Exact Mass160.02
IUPAC Name—
SMILES[c]1csc(-c2ccccc2)n1
InChIInChI=1S/C9H6NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,7H
InChIKeyODLGIUMZMIWVOM-UHFFFAOYSA-N
XLogP2.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 57440013?
The IUPAC name of CID 57440013 (CID 57440013) is not available.
What is the SMILES notation for CID 57440013?
The canonical SMILES for CID 57440013 is [c]1csc(-c2ccccc2)n1.
What is the InChIKey of CID 57440013?
The InChIKey is ODLGIUMZMIWVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,7H.
What are the key properties of CID 57440013?
CID 57440013 has a molecular weight of 160.22 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57440013 is sourced from PubChem (CID 57440013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).