S-(2-methoxy-4-methylphenyl)thiohydroxylamine

C8H11NOS — CID 142317823

IUPACS-(2-methoxy-4-methylphenyl)thiohydroxylamine
SMILESCOc1cc(C)ccc1SN
InChIInChI=1S/C8H11NOS/c1-6-3-4-8(11-9)7(5-6)10-2/h3-5H,9H2,1-2H3
InChIKeyKLSVCRFGJZZOTK-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.97
Rot. Bonds2

About S-(2-methoxy-4-methylphenyl)thiohydroxylamine

S-(2-methoxy-4-methylphenyl)thiohydroxylamine (PubChem CID 142317823) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is S-(2-methoxy-4-methylphenyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(2-methoxy-4-methylphenyl)thiohydroxylamine
PubChem CID142317823
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC NameS-(2-methoxy-4-methylphenyl)thiohydroxylamine
SMILESCOc1cc(C)ccc1SN
InChIInChI=1S/C8H11NOS/c1-6-3-4-8(11-9)7(5-6)10-2/h3-5H,9H2,1-2H3
InChIKeyKLSVCRFGJZZOTK-UHFFFAOYSA-N
XLogP1.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.97
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-(2-methoxy-5-methylphenyl)thiohydroxylamine
CID 117033753
2-methoxy-1-(4-methoxyphenyl)sulfanyl-4-methylbenzene
CID 18738952
O-(2-methoxy-4-methylphenyl)hydroxylamine
CID 56611281
1-(2-methoxy-4-methylphenyl)ethanamine;hydrochloride
CID 127021057
CID 131844912
CID 131844912
2-(disulfanyl)-1-methoxy-4-methylbenzene
CID 117033813
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
3-amino-1-(2-methoxy-4-methylphenyl)propane-1,2-diol
CID 170827970
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-(3,5-difluorophenyl)-1-(2-methoxy-4-methylphenyl)ethanamine
CID 106791515
2-methoxy-4-methylbenzenecarboximidamide
CID 62306767
1-(2-methoxy-4-methylphenyl)cyclopentan-1-amine
CID 82396221

Frequently Asked Questions

What is the IUPAC name of S-(2-methoxy-4-methylphenyl)thiohydroxylamine?
The IUPAC name of S-(2-methoxy-4-methylphenyl)thiohydroxylamine (CID 142317823) is S-(2-methoxy-4-methylphenyl)thiohydroxylamine.
What is the SMILES notation for S-(2-methoxy-4-methylphenyl)thiohydroxylamine?
The canonical SMILES for S-(2-methoxy-4-methylphenyl)thiohydroxylamine is COc1cc(C)ccc1SN.
What is the InChIKey of S-(2-methoxy-4-methylphenyl)thiohydroxylamine?
The InChIKey is KLSVCRFGJZZOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-6-3-4-8(11-9)7(5-6)10-2/h3-5H,9H2,1-2H3.
What are the key properties of S-(2-methoxy-4-methylphenyl)thiohydroxylamine?
S-(2-methoxy-4-methylphenyl)thiohydroxylamine has a molecular weight of 169.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-(2-methoxy-4-methylphenyl)thiohydroxylamine is sourced from PubChem (CID 142317823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).