S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine

C18H24N2O2S2 — CID 145154833

IUPACS-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
SMILESNSc1ccc(OCCCCCCOc2ccc(SN)cc2)cc1
InChIInChI=1S/C18H24N2O2S2/c19-23-17-9-5-15(6-10-17)21-13-3-1-2-4-14-22-16-7-11-18(24-20)12-8-16/h5-12H,1-4,13-14,19-20H2
InChIKeyCZDFEDSUOJMRNS-UHFFFAOYSA-N
MW364.54 g/mol
LogP4.64
Rot. Bonds11

About S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine

S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine (PubChem CID 145154833) has the molecular formula C18H24N2O2S2 and a molecular weight of 364.54 g/mol. Its IUPAC name is S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
PubChem CID145154833
Molecular FormulaC18H24N2O2S2
Molecular Weight364.54 g/mol
Exact Mass364.13
IUPAC NameS-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
SMILESNSc1ccc(OCCCCCCOc2ccc(SN)cc2)cc1
InChIInChI=1S/C18H24N2O2S2/c19-23-17-9-5-15(6-10-17)21-13-3-1-2-4-14-22-16-7-11-18(24-20)12-8-16/h5-12H,1-4,13-14,19-20H2
InChIKeyCZDFEDSUOJMRNS-UHFFFAOYSA-N
XLogP4.64
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.54
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
5-(4-methylsulfanylphenoxy)pentan-1-amine
CID 63649657
4-[19-(4-aminophenoxy)nonadecoxy]aniline
CID 139902778
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
6-(4-methylsulfanylphenoxy)hexan-1-ol
CID 103867882
1-(6-bromohexoxy)-4-methylsulfanylbenzene
CID 18921861
[amino-[4-[6-[4-[amino(azaniumylidene)methyl]phenoxy]hexoxy]phenyl]methylidene]azanium
CID 51381298
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[5-(4-hydroxyphenoxy)pentoxy]phenol
CID 20548963
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659

Frequently Asked Questions

What is the IUPAC name of S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine?
The IUPAC name of S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine (CID 145154833) is S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine.
What is the SMILES notation for S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine?
The canonical SMILES for S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine is NSc1ccc(OCCCCCCOc2ccc(SN)cc2)cc1.
What is the InChIKey of S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine?
The InChIKey is CZDFEDSUOJMRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S2/c19-23-17-9-5-15(6-10-17)21-13-3-1-2-4-14-22-16-7-11-18(24-20)12-8-16/h5-12H,1-4,13-14,19-20H2.
What are the key properties of S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine?
S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine has a molecular weight of 364.54 g/mol, XLogP of 4.64, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine is sourced from PubChem (CID 145154833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).