S-(3-iodopropyl)thiohydroxylamine

C3H8INS — CID 129101559

IUPACS-(3-iodopropyl)thiohydroxylamine
SMILESNSCCCI
InChIInChI=1S/C3H8INS/c4-2-1-3-6-5/h1-3,5H2
InChIKeyGFWYOKPBQZPAIW-UHFFFAOYSA-N
MW217.07 g/mol
LogP1.42
Rot. Bonds3

About S-(3-iodopropyl)thiohydroxylamine

S-(3-iodopropyl)thiohydroxylamine (PubChem CID 129101559) has the molecular formula C3H8INS and a molecular weight of 217.07 g/mol. Its IUPAC name is S-(3-iodopropyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(3-iodopropyl)thiohydroxylamine
PubChem CID129101559
Molecular FormulaC3H8INS
Molecular Weight217.07 g/mol
Exact Mass216.94
IUPAC NameS-(3-iodopropyl)thiohydroxylamine
SMILESNSCCCI
InChIInChI=1S/C3H8INS/c4-2-1-3-6-5/h1-3,5H2
InChIKeyGFWYOKPBQZPAIW-UHFFFAOYSA-N
XLogP1.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.07
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of S-(3-iodopropyl)thiohydroxylamine?
The IUPAC name of S-(3-iodopropyl)thiohydroxylamine (CID 129101559) is S-(3-iodopropyl)thiohydroxylamine.
What is the SMILES notation for S-(3-iodopropyl)thiohydroxylamine?
The canonical SMILES for S-(3-iodopropyl)thiohydroxylamine is NSCCCI.
What is the InChIKey of S-(3-iodopropyl)thiohydroxylamine?
The InChIKey is GFWYOKPBQZPAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8INS/c4-2-1-3-6-5/h1-3,5H2.
What are the key properties of S-(3-iodopropyl)thiohydroxylamine?
S-(3-iodopropyl)thiohydroxylamine has a molecular weight of 217.07 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(3-iodopropyl)thiohydroxylamine is sourced from PubChem (CID 129101559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).