CID 18914741

HClNO2S2- — CID 18914741

IUPAC—
SMILESO=S([O-])NSCl
InChIInChI=1S/ClH2NO2S2/c1-5-2-6(3)4/h2H,(H,3,4)/p-1
InChIKeyWRXONALCWAWNAB-UHFFFAOYSA-M
MW146.60 g/mol
LogP0.17
Rot. Bonds2

About CID 18914741

CID 18914741 (PubChem CID 18914741) has the molecular formula HClNO2S2- and a molecular weight of 146.60 g/mol.

Molecular Properties

Compound NameCID 18914741
PubChem CID18914741
Molecular FormulaHClNO2S2-
Molecular Weight146.60 g/mol
Exact Mass145.91
IUPAC Name—
SMILESO=S([O-])NSCl
InChIInChI=1S/ClH2NO2S2/c1-5-2-6(3)4/h2H,(H,3,4)/p-1
InChIKeyWRXONALCWAWNAB-UHFFFAOYSA-M
XLogP0.17
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.60
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 18914741 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 18914741?
The IUPAC name of CID 18914741 (CID 18914741) is not available.
What is the SMILES notation for CID 18914741?
The canonical SMILES for CID 18914741 is O=S([O-])NSCl.
What is the InChIKey of CID 18914741?
The InChIKey is WRXONALCWAWNAB-UHFFFAOYSA-M. The full InChI is InChI=1S/ClH2NO2S2/c1-5-2-6(3)4/h2H,(H,3,4)/p-1.
What are the key properties of CID 18914741?
CID 18914741 has a molecular weight of 146.60 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18914741 is sourced from PubChem (CID 18914741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).