CID 172859402

HClNaS — CID 172859402

IUPAC—
SMILESSCl.[Na]
InChIInChI=1S/ClHS.Na/c1-2;/h2H;
InChIKeyRUMXYSOYXRCDQC-UHFFFAOYSA-N
MW91.52 g/mol
LogP0.69
Rot. Bonds

About CID 172859402

CID 172859402 (PubChem CID 172859402) has the molecular formula HClNaS and a molecular weight of 91.52 g/mol.

Molecular Properties

Compound NameCID 172859402
PubChem CID172859402
Molecular FormulaHClNaS
Molecular Weight91.52 g/mol
Exact Mass90.94
IUPAC Name—
SMILESSCl.[Na]
InChIInChI=1S/ClHS.Na/c1-2;/h2H;
InChIKeyRUMXYSOYXRCDQC-UHFFFAOYSA-N
XLogP0.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.52
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 172859402?
The IUPAC name of CID 172859402 (CID 172859402) is not available.
What is the SMILES notation for CID 172859402?
The canonical SMILES for CID 172859402 is SCl.[Na].
What is the InChIKey of CID 172859402?
The InChIKey is RUMXYSOYXRCDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/ClHS.Na/c1-2;/h2H;.
What are the key properties of CID 172859402?
CID 172859402 has a molecular weight of 91.52 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172859402 is sourced from PubChem (CID 172859402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).