CID 59269615

C5H5NS — CID 59269615

IUPAC—
SMILES[CH]c1cc(C)sn1
InChIInChI=1S/C5H5NS/c1-4-3-5(2)7-6-4/h1,3H,2H3
InChIKeyKOBLGURRQFOHNB-UHFFFAOYSA-N
MW111.17 g/mol
LogP1.51
Rot. Bonds

About CID 59269615

CID 59269615 (PubChem CID 59269615) has the molecular formula C5H5NS and a molecular weight of 111.17 g/mol.

Molecular Properties

Compound NameCID 59269615
PubChem CID59269615
Molecular FormulaC5H5NS
Molecular Weight111.17 g/mol
Exact Mass111.01
IUPAC Name—
SMILES[CH]c1cc(C)sn1
InChIInChI=1S/C5H5NS/c1-4-3-5(2)7-6-4/h1,3H,2H3
InChIKeyKOBLGURRQFOHNB-UHFFFAOYSA-N
XLogP1.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 59269615?
The IUPAC name of CID 59269615 (CID 59269615) is not available.
What is the SMILES notation for CID 59269615?
The canonical SMILES for CID 59269615 is [CH]c1cc(C)sn1.
What is the InChIKey of CID 59269615?
The InChIKey is KOBLGURRQFOHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NS/c1-4-3-5(2)7-6-4/h1,3H,2H3.
What are the key properties of CID 59269615?
CID 59269615 has a molecular weight of 111.17 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59269615 is sourced from PubChem (CID 59269615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).