N-methylthiohydroxylamine;hydrochloride

CH6ClNS — CID 174145720

IUPACN-methylthiohydroxylamine;hydrochloride
SMILESCNS.Cl
InChIInChI=1S/CH5NS.ClH/c1-2-3;/h2-3H,1H3;1H
InChIKeyPGOOXPXNPWPVRR-UHFFFAOYSA-N
MW99.59 g/mol
LogP0.47
Rot. Bonds

About N-methylthiohydroxylamine;hydrochloride

N-methylthiohydroxylamine;hydrochloride (PubChem CID 174145720) has the molecular formula CH6ClNS and a molecular weight of 99.59 g/mol. Its IUPAC name is N-methylthiohydroxylamine;hydrochloride.

Molecular Properties

Compound NameN-methylthiohydroxylamine;hydrochloride
PubChem CID174145720
Molecular FormulaCH6ClNS
Molecular Weight99.59 g/mol
Exact Mass98.99
IUPAC NameN-methylthiohydroxylamine;hydrochloride
SMILESCNS.Cl
InChIInChI=1S/CH5NS.ClH/c1-2-3;/h2-3H,1H3;1H
InChIKeyPGOOXPXNPWPVRR-UHFFFAOYSA-N
XLogP0.47
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.59
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methylthiohydroxylamine;hydrochloride 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 N-methylthiohydroxylamine;hydrochloride?
The IUPAC name of N-methylthiohydroxylamine;hydrochloride (CID 174145720) is N-methylthiohydroxylamine;hydrochloride.
What is the SMILES notation for N-methylthiohydroxylamine;hydrochloride?
The canonical SMILES for N-methylthiohydroxylamine;hydrochloride is CNS.Cl.
What is the InChIKey of N-methylthiohydroxylamine;hydrochloride?
The InChIKey is PGOOXPXNPWPVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH5NS.ClH/c1-2-3;/h2-3H,1H3;1H.
What are the key properties of N-methylthiohydroxylamine;hydrochloride?
N-methylthiohydroxylamine;hydrochloride has a molecular weight of 99.59 g/mol, XLogP of 0.47, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylthiohydroxylamine;hydrochloride is sourced from PubChem (CID 174145720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).