S-(4-ethoxyphenyl)thiohydroxylamine

C8H11NOS — CID 117033765

IUPACS-(4-ethoxyphenyl)thiohydroxylamine
SMILESCCOc1ccc(SN)cc1
InChIInChI=1S/C8H11NOS/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2,9H2,1H3
InChIKeySXEVLVXZASNNAP-UHFFFAOYSA-N
MW169.25 g/mol
LogP2.05
Rot. Bonds3

About S-(4-ethoxyphenyl)thiohydroxylamine

S-(4-ethoxyphenyl)thiohydroxylamine (PubChem CID 117033765) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is S-(4-ethoxyphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-ethoxyphenyl)thiohydroxylamine
PubChem CID117033765
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameS-(4-ethoxyphenyl)thiohydroxylamine
SMILESCCOc1ccc(SN)cc1
InChIInChI=1S/C8H11NOS/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2,9H2,1H3
InChIKeySXEVLVXZASNNAP-UHFFFAOYSA-N
XLogP2.05
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

S-[4-[6-(4-aminosulfanylphenoxy)hexoxy]phenyl]thiohydroxylamine
CID 145154833
1-ethoxy-4-[(4-ethoxyphenyl)tetrasulfanyl]benzene
CID 54464789
1-ethoxy-4-methoxysulfanylbenzene
CID 117035958
S-(4-ethoxyphenyl) methanethioate
CID 117033675
(4-ethoxyphenyl)-(4-ethylsulfanylphenyl)methanamine
CID 106848489
1-(4-ethoxyphenyl)ethenamine
CID 129289710
1-ethoxy-4-(fluoromethoxy)benzene
CID 21036002
1-[bromo-(4-ethoxyphenyl)methyl]-4-methylsulfanylbenzene
CID 79217159
N-[(4-ethoxyphenyl)sulfanylmethyl]propan-2-amine
CID 117032918
3-(4-ethoxyphenyl)prop-2-yn-1-amine;hydrochloride
CID 75480678
1-(4-ethoxyphenyl)ethylidenehydrazine
CID 937394
ethane;1-ethoxy-4-fluorobenzene
CID 143106824

Frequently Asked Questions

What is the IUPAC name of S-(4-ethoxyphenyl)thiohydroxylamine?
The IUPAC name of S-(4-ethoxyphenyl)thiohydroxylamine (CID 117033765) is S-(4-ethoxyphenyl)thiohydroxylamine.
What is the SMILES notation for S-(4-ethoxyphenyl)thiohydroxylamine?
The canonical SMILES for S-(4-ethoxyphenyl)thiohydroxylamine is CCOc1ccc(SN)cc1.
What is the InChIKey of S-(4-ethoxyphenyl)thiohydroxylamine?
The InChIKey is SXEVLVXZASNNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-2-10-7-3-5-8(11-9)6-4-7/h3-6H,2,9H2,1H3.
What are the key properties of S-(4-ethoxyphenyl)thiohydroxylamine?
S-(4-ethoxyphenyl)thiohydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-ethoxyphenyl)thiohydroxylamine is sourced from PubChem (CID 117033765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).