CID 57457942

C5H5N2O2S — CID 57457942

IUPAC—
SMILESCS(=O)(=O)c1n[c]ccn1
InChIInChI=1S/C5H5N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-3H,1H3
InChIKeyMATZSRFIEAPWML-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.32
Rot. Bonds1

About CID 57457942

CID 57457942 (PubChem CID 57457942) has the molecular formula C5H5N2O2S and a molecular weight of 157.17 g/mol.

Molecular Properties

Compound NameCID 57457942
PubChem CID57457942
Molecular FormulaC5H5N2O2S
Molecular Weight157.17 g/mol
Exact Mass157.01
IUPAC Name—
SMILESCS(=O)(=O)c1n[c]ccn1
InChIInChI=1S/C5H5N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-3H,1H3
InChIKeyMATZSRFIEAPWML-UHFFFAOYSA-N
XLogP-0.32
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 57457942?
The IUPAC name of CID 57457942 (CID 57457942) is not available.
What is the SMILES notation for CID 57457942?
The canonical SMILES for CID 57457942 is CS(=O)(=O)c1n[c]ccn1.
What is the InChIKey of CID 57457942?
The InChIKey is MATZSRFIEAPWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N2O2S/c1-10(8,9)5-6-3-2-4-7-5/h2-3H,1H3.
What are the key properties of CID 57457942?
CID 57457942 has a molecular weight of 157.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 57457942 is sourced from PubChem (CID 57457942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).