S-octylthiohydroxylamine

C8H19NS — CID 130279962

IUPACS-octylthiohydroxylamine
SMILESCCCCCCCCSN
InChIInChI=1S/C8H19NS/c1-2-3-4-5-6-7-8-10-9/h2-9H2,1H3
InChIKeyHAFWMBHVEHHGLD-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.95
Rot. Bonds7

About S-octylthiohydroxylamine

S-octylthiohydroxylamine (PubChem CID 130279962) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is S-octylthiohydroxylamine.

Molecular Properties

Compound NameS-octylthiohydroxylamine
PubChem CID130279962
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC NameS-octylthiohydroxylamine
SMILESCCCCCCCCSN
InChIInChI=1S/C8H19NS/c1-2-3-4-5-6-7-8-10-9/h2-9H2,1H3
InChIKeyHAFWMBHVEHHGLD-UHFFFAOYSA-N
XLogP2.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-dotriacontylthiohydroxylamine;hydrochloride
CID 141039894
1-nonylsulfanyldodecane
CID 87077738
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-dodecylsulfanylicosane
CID 87077505
1-tetracosylsulfanyloctacosane
CID 87077758
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910
1-hexylsulfanyloctadecane
CID 21424485
1-hexylsulfanyltetradecane
CID 87077491
1-tetracosylsulfanyltetracosane
CID 14647813
bis(octylsulfanyl)mercury
CID 16685147

Frequently Asked Questions

What is the IUPAC name of S-octylthiohydroxylamine?
The IUPAC name of S-octylthiohydroxylamine (CID 130279962) is S-octylthiohydroxylamine.
What is the SMILES notation for S-octylthiohydroxylamine?
The canonical SMILES for S-octylthiohydroxylamine is CCCCCCCCSN.
What is the InChIKey of S-octylthiohydroxylamine?
The InChIKey is HAFWMBHVEHHGLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NS/c1-2-3-4-5-6-7-8-10-9/h2-9H2,1H3.
What are the key properties of S-octylthiohydroxylamine?
S-octylthiohydroxylamine has a molecular weight of 161.31 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-octylthiohydroxylamine is sourced from PubChem (CID 130279962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).