S-dotriacontylthiohydroxylamine;hydrochloride

C32H68ClNS — CID 141039894

IUPACS-dotriacontylthiohydroxylamine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSN.Cl
InChIInChI=1S/C32H67NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33;/h2-33H2,1H3;1H
InChIKeyDNSZNSQGQKYIDG-UHFFFAOYSA-N
MW534.42 g/mol
LogP12.74
Rot. Bonds31

About S-dotriacontylthiohydroxylamine;hydrochloride

S-dotriacontylthiohydroxylamine;hydrochloride (PubChem CID 141039894) has the molecular formula C32H68ClNS and a molecular weight of 534.42 g/mol. Its IUPAC name is S-dotriacontylthiohydroxylamine;hydrochloride.

Molecular Properties

Compound NameS-dotriacontylthiohydroxylamine;hydrochloride
PubChem CID141039894
Molecular FormulaC32H68ClNS
Molecular Weight534.42 g/mol
Exact Mass533.48
IUPAC NameS-dotriacontylthiohydroxylamine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSN.Cl
InChIInChI=1S/C32H67NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33;/h2-33H2,1H3;1H
InChIKeyDNSZNSQGQKYIDG-UHFFFAOYSA-N
XLogP12.74
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.42
LogP ≤ 512.74
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-octylthiohydroxylamine
CID 130279962
pentacosane;hydrochloride
CID 172714496
icosane;tetrahydrochloride
CID 143212018
bis(heptane);hydrochloride
CID 160833718
nonadecane;hydrochloride
CID 172821128
1-octadecylsulfanyloctacosane
CID 87077538
1-hexylsulfanyltetradecane
CID 87077491
1-nonylsulfanyldodecane
CID 87077738
1-hexylsulfanyl-8-pentylsulfanyloctane
CID 167032436
1-dodecylsulfanylicosane
CID 87077505
1-hexylsulfanylicosane
CID 87077585
1-hexylsulfanyloctane
CID 15742910

Frequently Asked Questions

What is the IUPAC name of S-dotriacontylthiohydroxylamine;hydrochloride?
The IUPAC name of S-dotriacontylthiohydroxylamine;hydrochloride (CID 141039894) is S-dotriacontylthiohydroxylamine;hydrochloride.
What is the SMILES notation for S-dotriacontylthiohydroxylamine;hydrochloride?
The canonical SMILES for S-dotriacontylthiohydroxylamine;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCSN.Cl.
What is the InChIKey of S-dotriacontylthiohydroxylamine;hydrochloride?
The InChIKey is DNSZNSQGQKYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H67NS.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-34-33;/h2-33H2,1H3;1H.
What are the key properties of S-dotriacontylthiohydroxylamine;hydrochloride?
S-dotriacontylthiohydroxylamine;hydrochloride has a molecular weight of 534.42 g/mol, XLogP of 12.74, 31 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-dotriacontylthiohydroxylamine;hydrochloride is sourced from PubChem (CID 141039894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).