thiohydroxylamine;hydrochloride

H4ClNS — CID 19981901

IUPACthiohydroxylamine;hydrochloride
SMILESCl.NS
InChIInChI=1S/ClH.H3NS/c;1-2/h1H;2H,1H2
InChIKeyDWRGLIHFAJTMGM-UHFFFAOYSA-N
MW85.56 g/mol
LogP0.21
Rot. Bonds

About thiohydroxylamine;hydrochloride

thiohydroxylamine;hydrochloride (PubChem CID 19981901) has the molecular formula H4ClNS and a molecular weight of 85.56 g/mol. Its IUPAC name is thiohydroxylamine;hydrochloride.

Molecular Properties

Compound Namethiohydroxylamine;hydrochloride
PubChem CID19981901
Molecular FormulaH4ClNS
Molecular Weight85.56 g/mol
Exact Mass84.98
IUPAC Namethiohydroxylamine;hydrochloride
SMILESCl.NS
InChIInChI=1S/ClH.H3NS/c;1-2/h1H;2H,1H2
InChIKeyDWRGLIHFAJTMGM-UHFFFAOYSA-N
XLogP0.21
TPSA26.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms3
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50085.56
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 thiohydroxylamine;hydrochloride?
The IUPAC name of thiohydroxylamine;hydrochloride (CID 19981901) is thiohydroxylamine;hydrochloride.
What is the SMILES notation for thiohydroxylamine;hydrochloride?
The canonical SMILES for thiohydroxylamine;hydrochloride is Cl.NS.
What is the InChIKey of thiohydroxylamine;hydrochloride?
The InChIKey is DWRGLIHFAJTMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/ClH.H3NS/c;1-2/h1H;2H,1H2.
What are the key properties of thiohydroxylamine;hydrochloride?
thiohydroxylamine;hydrochloride has a molecular weight of 85.56 g/mol, XLogP of 0.21, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thiohydroxylamine;hydrochloride is sourced from PubChem (CID 19981901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).