S-phenylthiohydroxylamine;hydrochloride

C6H8ClNS — CID 162320806

IUPACS-phenylthiohydroxylamine;hydrochloride
SMILESCl.NSc1ccccc1
InChIInChI=1S/C6H7NS.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKeyYPYCPUHKIOHEPA-UHFFFAOYSA-N
MW161.66 g/mol
LogP2.07
Rot. Bonds1

About S-phenylthiohydroxylamine;hydrochloride

S-phenylthiohydroxylamine;hydrochloride (PubChem CID 162320806) has the molecular formula C6H8ClNS and a molecular weight of 161.66 g/mol. Its IUPAC name is S-phenylthiohydroxylamine;hydrochloride.

Molecular Properties

Compound NameS-phenylthiohydroxylamine;hydrochloride
PubChem CID162320806
Molecular FormulaC6H8ClNS
Molecular Weight161.66 g/mol
Exact Mass161.01
IUPAC NameS-phenylthiohydroxylamine;hydrochloride
SMILESCl.NSc1ccccc1
InChIInChI=1S/C6H7NS.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H
InChIKeyYPYCPUHKIOHEPA-UHFFFAOYSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.66
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of S-phenylthiohydroxylamine;hydrochloride?
The IUPAC name of S-phenylthiohydroxylamine;hydrochloride (CID 162320806) is S-phenylthiohydroxylamine;hydrochloride.
What is the SMILES notation for S-phenylthiohydroxylamine;hydrochloride?
The canonical SMILES for S-phenylthiohydroxylamine;hydrochloride is Cl.NSc1ccccc1.
What is the InChIKey of S-phenylthiohydroxylamine;hydrochloride?
The InChIKey is YPYCPUHKIOHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS.ClH/c7-8-6-4-2-1-3-5-6;/h1-5H,7H2;1H.
What are the key properties of S-phenylthiohydroxylamine;hydrochloride?
S-phenylthiohydroxylamine;hydrochloride has a molecular weight of 161.66 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-phenylthiohydroxylamine;hydrochloride is sourced from PubChem (CID 162320806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).