Urea, 1-isopropyl-2-thio-

Details

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Internal ID d42d7308-b7d1-4b69-811b-df77d420ccee
Taxonomy Organosulfur compounds > Thioureas
IUPAC Name propan-2-ylthiourea
SMILES (Canonical) CC(C)NC(=S)N
SMILES (Isomeric) CC(C)NC(=S)N
InChI InChI=1S/C4H10N2S/c1-3(2)6-4(5)7/h3H,1-2H3,(H3,5,6,7)
InChI Key POXAIQSXNOEQGM-UHFFFAOYSA-N
Popularity 14 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10N2S
Molecular Weight 118.20 g/mol
Exact Mass 118.05646950 g/mol
Topological Polar Surface Area (TPSA) 70.10 Ų
XlogP 0.40

Synonyms

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N-Isopropylthiourea
isopropylthiourea
Urea, 1-isopropyl-2-thio-
propan-2-ylthiourea
Isopropyl thiourea
1-Isopropylthiourea
isopropyl-thiourea
1-iso-propyl-2-thiourea
(propan-2-yl)thiourea
284G15B4P4
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Urea, 1-isopropyl-2-thio-

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3837 P07711 Cathepsin L 87.28% 96.61%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.63% 96.09%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 83.52% 95.58%
CHEMBL4040 P28482 MAP kinase ERK2 82.98% 83.82%
CHEMBL2581 P07339 Cathepsin D 82.56% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.70% 93.56%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Putranjiva roxburghii

Cross-Links

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PubChem 1711921
LOTUS LTS0117690
wikiData Q27254262