N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine

C7H17NS2 — CID 87075304

IUPACN-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
SMILESCCCSC(C)(CC)NS
InChIInChI=1S/C7H17NS2/c1-4-6-10-7(3,5-2)8-9/h8-9H,4-6H2,1-3H3
InChIKeyXKTFPDBRYTXFOO-UHFFFAOYSA-N
MW179.35 g/mol
LogP2.69
Rot. Bonds5

About N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine

N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine (PubChem CID 87075304) has the molecular formula C7H17NS2 and a molecular weight of 179.35 g/mol. Its IUPAC name is N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine.

Molecular Properties

Compound NameN-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
PubChem CID87075304
Molecular FormulaC7H17NS2
Molecular Weight179.35 g/mol
Exact Mass179.08
IUPAC NameN-(2-propylsulfanylbutan-2-yl)thiohydroxylamine
SMILESCCCSC(C)(CC)NS
InChIInChI=1S/C7H17NS2/c1-4-6-10-7(3,5-2)8-9/h8-9H,4-6H2,1-3H3
InChIKeyXKTFPDBRYTXFOO-UHFFFAOYSA-N
XLogP2.69
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine?
The IUPAC name of N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine (CID 87075304) is N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine.
What is the SMILES notation for N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine?
The canonical SMILES for N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine is CCCSC(C)(CC)NS.
What is the InChIKey of N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine?
The InChIKey is XKTFPDBRYTXFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NS2/c1-4-6-10-7(3,5-2)8-9/h8-9H,4-6H2,1-3H3.
What are the key properties of N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine?
N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine has a molecular weight of 179.35 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propylsulfanylbutan-2-yl)thiohydroxylamine is sourced from PubChem (CID 87075304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).