CID 151502670

H6N4O2S — CID 151502670

IUPAC—
SMILESNNNS(N)(=O)=O
InChIInChI=1S/H6N4O2S/c1-3-4-7(2,5)6/h3-4H,1H2,(H2,2,5,6)
InChIKeyPQTHOSJGLOKNFH-UHFFFAOYSA-N
MW126.14 g/mol
LogP-2.84
Rot. Bonds2

About CID 151502670

CID 151502670 (PubChem CID 151502670) has the molecular formula H6N4O2S and a molecular weight of 126.14 g/mol.

Molecular Properties

Compound NameCID 151502670
PubChem CID151502670
Molecular FormulaH6N4O2S
Molecular Weight126.14 g/mol
Exact Mass126.02
IUPAC Name—
SMILESNNNS(N)(=O)=O
InChIInChI=1S/H6N4O2S/c1-3-4-7(2,5)6/h3-4H,1H2,(H2,2,5,6)
InChIKeyPQTHOSJGLOKNFH-UHFFFAOYSA-N
XLogP-2.84
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.14
LogP ≤ 5-2.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 151502670?
The IUPAC name of CID 151502670 (CID 151502670) is not available.
What is the SMILES notation for CID 151502670?
The canonical SMILES for CID 151502670 is NNNS(N)(=O)=O.
What is the InChIKey of CID 151502670?
The InChIKey is PQTHOSJGLOKNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/H6N4O2S/c1-3-4-7(2,5)6/h3-4H,1H2,(H2,2,5,6).
What are the key properties of CID 151502670?
CID 151502670 has a molecular weight of 126.14 g/mol, XLogP of -2.84, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 151502670 is sourced from PubChem (CID 151502670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).