CID 58533541

C4H4N2S — CID 58533541

IUPAC—
SMILES[CH]Cc1ncns1
InChIInChI=1S/C4H4N2S/c1-2-4-5-3-6-7-4/h1,3H,2H2
InChIKeyIWHRFICTFBDUOS-UHFFFAOYSA-N
MW112.16 g/mol
LogP0.79
Rot. Bonds1

About CID 58533541

CID 58533541 (PubChem CID 58533541) has the molecular formula C4H4N2S and a molecular weight of 112.16 g/mol.

Molecular Properties

Compound NameCID 58533541
PubChem CID58533541
Molecular FormulaC4H4N2S
Molecular Weight112.16 g/mol
Exact Mass112.01
IUPAC Name—
SMILES[CH]Cc1ncns1
InChIInChI=1S/C4H4N2S/c1-2-4-5-3-6-7-4/h1,3H,2H2
InChIKeyIWHRFICTFBDUOS-UHFFFAOYSA-N
XLogP0.79
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.16
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58533541?
The IUPAC name of CID 58533541 (CID 58533541) is not available.
What is the SMILES notation for CID 58533541?
The canonical SMILES for CID 58533541 is [CH]Cc1ncns1.
What is the InChIKey of CID 58533541?
The InChIKey is IWHRFICTFBDUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2S/c1-2-4-5-3-6-7-4/h1,3H,2H2.
What are the key properties of CID 58533541?
CID 58533541 has a molecular weight of 112.16 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58533541 is sourced from PubChem (CID 58533541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).