S-(4-propan-2-yloxyphenyl)thiohydroxylamine

C9H13NOS — CID 117033766

IUPACS-(4-propan-2-yloxyphenyl)thiohydroxylamine
SMILESCC(C)Oc1ccc(SN)cc1
InChIInChI=1S/C9H13NOS/c1-7(2)11-8-3-5-9(12-10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyAFXFQJKGKWSIQA-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.44
Rot. Bonds3

About S-(4-propan-2-yloxyphenyl)thiohydroxylamine

S-(4-propan-2-yloxyphenyl)thiohydroxylamine (PubChem CID 117033766) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is S-(4-propan-2-yloxyphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4-propan-2-yloxyphenyl)thiohydroxylamine
PubChem CID117033766
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC NameS-(4-propan-2-yloxyphenyl)thiohydroxylamine
SMILESCC(C)Oc1ccc(SN)cc1
InChIInChI=1S/C9H13NOS/c1-7(2)11-8-3-5-9(12-10)6-4-8/h3-7H,10H2,1-2H3
InChIKeyAFXFQJKGKWSIQA-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.44
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

1-bromo-4-(4-propan-2-yloxyphenyl)sulfanylbenzene
CID 137385958
4-(4-propan-2-yloxyphenyl)sulfanylphenol
CID 134238936
2-methyl-1-(4-propan-2-yloxyphenyl)sulfanylpropan-2-amine
CID 117032627
(1S)-1-(4-propan-2-yloxyphenyl)ethanamine
CID 7446792
trichloro-(4-propan-2-yloxyphenyl)silane
CID 69462595
2-(4-propan-2-yloxyphenyl)sulfanylethanethiol
CID 117033741
2-(4-propan-2-yloxyphenyl)sulfanylacetonitrile
CID 116853805
1-[chloro-(4-methylsulfanylphenyl)methyl]-4-propan-2-yloxybenzene
CID 79217227
S-(4-ethoxyphenyl)thiohydroxylamine
CID 117033765
3-(4-propan-2-yloxyphenyl)sulfanylazetidine
CID 117032992
2-methyl-2-(4-propan-2-yloxyphenyl)sulfanylpropan-1-ol
CID 116852304
2-oxo-2-(4-propan-2-yloxyphenyl)acetamide
CID 116924444

Frequently Asked Questions

What is the IUPAC name of S-(4-propan-2-yloxyphenyl)thiohydroxylamine?
The IUPAC name of S-(4-propan-2-yloxyphenyl)thiohydroxylamine (CID 117033766) is S-(4-propan-2-yloxyphenyl)thiohydroxylamine.
What is the SMILES notation for S-(4-propan-2-yloxyphenyl)thiohydroxylamine?
The canonical SMILES for S-(4-propan-2-yloxyphenyl)thiohydroxylamine is CC(C)Oc1ccc(SN)cc1.
What is the InChIKey of S-(4-propan-2-yloxyphenyl)thiohydroxylamine?
The InChIKey is AFXFQJKGKWSIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-7(2)11-8-3-5-9(12-10)6-4-8/h3-7H,10H2,1-2H3.
What are the key properties of S-(4-propan-2-yloxyphenyl)thiohydroxylamine?
S-(4-propan-2-yloxyphenyl)thiohydroxylamine has a molecular weight of 183.28 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4-propan-2-yloxyphenyl)thiohydroxylamine is sourced from PubChem (CID 117033766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).