CID 58119442

C6H9N2O2S — CID 58119442

IUPAC—
SMILESCSCC1NC(=O)[CH]NC1=O
InChIInChI=1S/C6H9N2O2S/c1-11-3-4-6(10)7-2-5(9)8-4/h2,4H,3H2,1H3,(H,7,10)(H,8,9)
InChIKeyGNSITYYHQGZBMT-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.87
Rot. Bonds2

About CID 58119442

CID 58119442 (PubChem CID 58119442) has the molecular formula C6H9N2O2S and a molecular weight of 173.22 g/mol.

Molecular Properties

Compound NameCID 58119442
PubChem CID58119442
Molecular FormulaC6H9N2O2S
Molecular Weight173.22 g/mol
Exact Mass173.04
IUPAC Name—
SMILESCSCC1NC(=O)[CH]NC1=O
InChIInChI=1S/C6H9N2O2S/c1-11-3-4-6(10)7-2-5(9)8-4/h2,4H,3H2,1H3,(H,7,10)(H,8,9)
InChIKeyGNSITYYHQGZBMT-UHFFFAOYSA-N
XLogP-0.87
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of CID 58119442?
The IUPAC name of CID 58119442 (CID 58119442) is not available.
What is the SMILES notation for CID 58119442?
The canonical SMILES for CID 58119442 is CSCC1NC(=O)[CH]NC1=O.
What is the InChIKey of CID 58119442?
The InChIKey is GNSITYYHQGZBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N2O2S/c1-11-3-4-6(10)7-2-5(9)8-4/h2,4H,3H2,1H3,(H,7,10)(H,8,9).
What are the key properties of CID 58119442?
CID 58119442 has a molecular weight of 173.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58119442 is sourced from PubChem (CID 58119442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).