10-[(S)-methylsulfinyl]decylthiourea

Details

• Internal ID: d8a2749b-b1c4-41cc-ba32-25d653cf366f
• Taxonomy: Organosulfur compounds > Isothioureas
• IUPAC Name: 10-[(S)-methylsulfinyl]decylthiourea
• InChI: InChI=1S/C12H26N2OS2/c1-17(15)11-9-7-5-3-2-4-6-8-10-14-12(13)16/h2-11H2,1H3,(H3,13,14,16)/t17-/m0/s1
• InChI Key: UALGHTIGMLJXKF-KRWDZBQOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₂H₂₆N₂OS₂
• Molecular Weight: 278.50 g/mol
• Exact Mass: 278.14865580 g/mol
• Topological Polar Surface Area (TPSA): 106.00 Ų
• XlogP: 2.30

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	95.69%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	94.01%	91.11%
CHEMBL4040	P28482	MAP kinase ERK2	93.85%	83.82%
CHEMBL2581	P07339	Cathepsin D	89.20%	98.95%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	88.54%	97.29%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	86.87%	96.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	84.30%	99.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.71%	94.33%

Plants that contains it

• Neslia paniculata

Cross-Links

• PubChem: 163189946
• LOTUS: LTS0133931
• wikiData: Q105268876