CID 59269524

C6H7NS — CID 59269524

IUPAC—
SMILES[CH]C(C)c1ccns1
InChIInChI=1S/C6H7NS/c1-5(2)6-3-4-7-8-6/h1,3-5H,2H3
InChIKeyXHFFEGYNSWKBQR-UHFFFAOYSA-N
MW125.20 g/mol
LogP1.96
Rot. Bonds1

About CID 59269524

CID 59269524 (PubChem CID 59269524) has the molecular formula C6H7NS and a molecular weight of 125.20 g/mol.

Molecular Properties

Compound NameCID 59269524
PubChem CID59269524
Molecular FormulaC6H7NS
Molecular Weight125.20 g/mol
Exact Mass125.03
IUPAC Name—
SMILES[CH]C(C)c1ccns1
InChIInChI=1S/C6H7NS/c1-5(2)6-3-4-7-8-6/h1,3-5H,2H3
InChIKeyXHFFEGYNSWKBQR-UHFFFAOYSA-N
XLogP1.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269524?
The IUPAC name of CID 59269524 (CID 59269524) is not available.
What is the SMILES notation for CID 59269524?
The canonical SMILES for CID 59269524 is [CH]C(C)c1ccns1.
What is the InChIKey of CID 59269524?
The InChIKey is XHFFEGYNSWKBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS/c1-5(2)6-3-4-7-8-6/h1,3-5H,2H3.
What are the key properties of CID 59269524?
CID 59269524 has a molecular weight of 125.20 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269524 is sourced from PubChem (CID 59269524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).