ethane;N-propylthiohydroxylamine

C5H15NS — CID 23139650

IUPACethane;N-propylthiohydroxylamine
SMILESCC.CCCNS
InChIInChI=1S/C3H9NS.C2H6/c1-2-3-4-5;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyJYUQWYRNVNJOOS-UHFFFAOYSA-N
MW121.25 g/mol
LogP1.86
Rot. Bonds2

About ethane;N-propylthiohydroxylamine

ethane;N-propylthiohydroxylamine (PubChem CID 23139650) has the molecular formula C5H15NS and a molecular weight of 121.25 g/mol. Its IUPAC name is ethane;N-propylthiohydroxylamine.

Molecular Properties

Compound Nameethane;N-propylthiohydroxylamine
PubChem CID23139650
Molecular FormulaC5H15NS
Molecular Weight121.25 g/mol
Exact Mass121.09
IUPAC Nameethane;N-propylthiohydroxylamine
SMILESCC.CCCNS
InChIInChI=1S/C3H9NS.C2H6/c1-2-3-4-5;1-2/h4-5H,2-3H2,1H3;1-2H3
InChIKeyJYUQWYRNVNJOOS-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.25
LogP ≤ 51.86
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 ethane;N-propylthiohydroxylamine?
The IUPAC name of ethane;N-propylthiohydroxylamine (CID 23139650) is ethane;N-propylthiohydroxylamine.
What is the SMILES notation for ethane;N-propylthiohydroxylamine?
The canonical SMILES for ethane;N-propylthiohydroxylamine is CC.CCCNS.
What is the InChIKey of ethane;N-propylthiohydroxylamine?
The InChIKey is JYUQWYRNVNJOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NS.C2H6/c1-2-3-4-5;1-2/h4-5H,2-3H2,1H3;1-2H3.
What are the key properties of ethane;N-propylthiohydroxylamine?
ethane;N-propylthiohydroxylamine has a molecular weight of 121.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-propylthiohydroxylamine is sourced from PubChem (CID 23139650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).