CID 174767680

CH5N3O3S — CID 174767680

IUPAC—
SMILESN=S(=O)=O.NNC=O
InChIInChI=1S/CH4N2O.HNO2S/c2-3-1-4;1-4(2)3/h1H,2H2,(H,3,4);1H
InChIKeyFHFUAEHMHBZDTC-UHFFFAOYSA-N
MW139.14 g/mol
LogP-1.77
Rot. Bonds1

About CID 174767680

CID 174767680 (PubChem CID 174767680) has the molecular formula CH5N3O3S and a molecular weight of 139.14 g/mol.

Molecular Properties

Compound NameCID 174767680
PubChem CID174767680
Molecular FormulaCH5N3O3S
Molecular Weight139.14 g/mol
Exact Mass139.01
IUPAC Name—
SMILESN=S(=O)=O.NNC=O
InChIInChI=1S/CH4N2O.HNO2S/c2-3-1-4;1-4(2)3/h1H,2H2,(H,3,4);1H
InChIKeyFHFUAEHMHBZDTC-UHFFFAOYSA-N
XLogP-1.77
TPSA113.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.14
LogP ≤ 5-1.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 174767680?
The IUPAC name of CID 174767680 (CID 174767680) is not available.
What is the SMILES notation for CID 174767680?
The canonical SMILES for CID 174767680 is N=S(=O)=O.NNC=O.
What is the InChIKey of CID 174767680?
The InChIKey is FHFUAEHMHBZDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2O.HNO2S/c2-3-1-4;1-4(2)3/h1H,2H2,(H,3,4);1H.
What are the key properties of CID 174767680?
CID 174767680 has a molecular weight of 139.14 g/mol, XLogP of -1.77, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174767680 is sourced from PubChem (CID 174767680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).