CID 174050071

CH3N2O2SSe- — CID 174050071

IUPAC—
SMILESNC(=O)N[S-](=O)=[Se]
InChIInChI=1S/CH3N2O2SSe/c2-1(4)3-6(5)7/h(H3,2,3,4,5,7)/q-1
InChIKeyFTSIFNQWSHWEEH-UHFFFAOYSA-N
MW186.07 g/mol
LogP-1.38
Rot. Bonds1

About CID 174050071

CID 174050071 (PubChem CID 174050071) has the molecular formula CH3N2O2SSe- and a molecular weight of 186.07 g/mol.

Molecular Properties

Compound NameCID 174050071
PubChem CID174050071
Molecular FormulaCH3N2O2SSe-
Molecular Weight186.07 g/mol
Exact Mass186.91
IUPAC Name—
SMILESNC(=O)N[S-](=O)=[Se]
InChIInChI=1S/CH3N2O2SSe/c2-1(4)3-6(5)7/h(H3,2,3,4,5,7)/q-1
InChIKeyFTSIFNQWSHWEEH-UHFFFAOYSA-N
XLogP-1.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.07
LogP ≤ 5-1.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 174050071?
The IUPAC name of CID 174050071 (CID 174050071) is not available.
What is the SMILES notation for CID 174050071?
The canonical SMILES for CID 174050071 is NC(=O)N[S-](=O)=[Se].
What is the InChIKey of CID 174050071?
The InChIKey is FTSIFNQWSHWEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3N2O2SSe/c2-1(4)3-6(5)7/h(H3,2,3,4,5,7)/q-1.
What are the key properties of CID 174050071?
CID 174050071 has a molecular weight of 186.07 g/mol, XLogP of -1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174050071 is sourced from PubChem (CID 174050071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).