CID 158254627

CHNNaS — CID 158254627

IUPAC—
SMILESN=C=S.[Na]
InChIInChI=1S/CHNS.Na/c2-1-3;/h2H;
InChIKeyGHCZQLJJSOMVSN-UHFFFAOYSA-N
MW82.08 g/mol
LogP0.29
Rot. Bonds

About CID 158254627

CID 158254627 (PubChem CID 158254627) has the molecular formula CHNNaS and a molecular weight of 82.08 g/mol.

Molecular Properties

Compound NameCID 158254627
PubChem CID158254627
Molecular FormulaCHNNaS
Molecular Weight82.08 g/mol
Exact Mass81.97
IUPAC Name—
SMILESN=C=S.[Na]
InChIInChI=1S/CHNS.Na/c2-1-3;/h2H;
InChIKeyGHCZQLJJSOMVSN-UHFFFAOYSA-N
XLogP0.29
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50082.08
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 158254627?
The IUPAC name of CID 158254627 (CID 158254627) is not available.
What is the SMILES notation for CID 158254627?
The canonical SMILES for CID 158254627 is N=C=S.[Na].
What is the InChIKey of CID 158254627?
The InChIKey is GHCZQLJJSOMVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.Na/c2-1-3;/h2H;.
What are the key properties of CID 158254627?
CID 158254627 has a molecular weight of 82.08 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158254627 is sourced from PubChem (CID 158254627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).