CID 157243712

C5H5N3NaS3 — CID 157243712

IUPAC—
SMILESC1=CSSS1.[Na].c1cnnnc1
InChIInChI=1S/C3H3N3.C2H2S3.Na/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-3H;1-2H;
InChIKeyAVMVHINONUBVEA-UHFFFAOYSA-N
MW226.31 g/mol
LogP1.99
Rot. Bonds

About CID 157243712

CID 157243712 (PubChem CID 157243712) has the molecular formula C5H5N3NaS3 and a molecular weight of 226.31 g/mol.

Molecular Properties

Compound NameCID 157243712
PubChem CID157243712
Molecular FormulaC5H5N3NaS3
Molecular Weight226.31 g/mol
Exact Mass225.95
IUPAC Name—
SMILESC1=CSSS1.[Na].c1cnnnc1
InChIInChI=1S/C3H3N3.C2H2S3.Na/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-3H;1-2H;
InChIKeyAVMVHINONUBVEA-UHFFFAOYSA-N
XLogP1.99
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.31
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 157243712?
The IUPAC name of CID 157243712 (CID 157243712) is not available.
What is the SMILES notation for CID 157243712?
The canonical SMILES for CID 157243712 is C1=CSSS1.[Na].c1cnnnc1.
What is the InChIKey of CID 157243712?
The InChIKey is AVMVHINONUBVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3N3.C2H2S3.Na/c1-2-4-6-5-3-1;1-2-4-5-3-1;/h1-3H;1-2H;.
What are the key properties of CID 157243712?
CID 157243712 has a molecular weight of 226.31 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157243712 is sourced from PubChem (CID 157243712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).