thiocyanic acid;hydrochloride;hydroiodide

CH3ClINS — CID 172734142

IUPACthiocyanic acid;hydrochloride;hydroiodide
SMILESCl.I.N#CS
InChIInChI=1S/CHNS.ClH.HI/c2-1-3;;/h3H;2*1H
InChIKeyIEVBCCMYWUHRHS-UHFFFAOYSA-N
MW223.47 g/mol
LogP1.44
Rot. Bonds

About thiocyanic acid;hydrochloride;hydroiodide

thiocyanic acid;hydrochloride;hydroiodide (PubChem CID 172734142) has the molecular formula CH3ClINS and a molecular weight of 223.47 g/mol. Its IUPAC name is thiocyanic acid;hydrochloride;hydroiodide.

Molecular Properties

Compound Namethiocyanic acid;hydrochloride;hydroiodide
PubChem CID172734142
Molecular FormulaCH3ClINS
Molecular Weight223.47 g/mol
Exact Mass222.87
IUPAC Namethiocyanic acid;hydrochloride;hydroiodide
SMILESCl.I.N#CS
InChIInChI=1S/CHNS.ClH.HI/c2-1-3;;/h3H;2*1H
InChIKeyIEVBCCMYWUHRHS-UHFFFAOYSA-N
XLogP1.44
TPSA23.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze thiocyanic acid;hydrochloride;hydroiodide with MolForge

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

Launch Full Analysis

Related Compounds

octanonacontasodium;thiocyanic acid
CID 173362917
molybdenum;thiocyanic acid
CID 87140059
methane;thiocyanic acid
CID 175305426
methanol;thiocyanic acid;dihydrochloride
CID 172721148
calcium;hydride;thiocyanic acid
CID 173280963
azane;gold;thiocyanic acid
CID 87960821
azane;thiocyanic acid;zinc
CID 88760762
trisodium;hydride;thiocyanic acid
CID 174868626
azane;hydron;thiocyanic acid
CID 174791541
azane;cobalt;thiocyanic acid
CID 173339149
lithium;hydride;hydron;thiocyanic acid
CID 174838780
guanidine;thiocyanic acid;hydrochloride
CID 173213318

Frequently Asked Questions

What is the IUPAC name of thiocyanic acid;hydrochloride;hydroiodide?
The IUPAC name of thiocyanic acid;hydrochloride;hydroiodide (CID 172734142) is thiocyanic acid;hydrochloride;hydroiodide.
What is the SMILES notation for thiocyanic acid;hydrochloride;hydroiodide?
The canonical SMILES for thiocyanic acid;hydrochloride;hydroiodide is Cl.I.N#CS.
What is the InChIKey of thiocyanic acid;hydrochloride;hydroiodide?
The InChIKey is IEVBCCMYWUHRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/CHNS.ClH.HI/c2-1-3;;/h3H;2*1H.
What are the key properties of thiocyanic acid;hydrochloride;hydroiodide?
thiocyanic acid;hydrochloride;hydroiodide has a molecular weight of 223.47 g/mol, XLogP of 1.44, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiocyanic acid;hydrochloride;hydroiodide is sourced from PubChem (CID 172734142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).