Bis(2-hydroxyethyl) trisulfide

Details

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Internal ID 7a42f016-0c18-49a7-9d2c-34049a90543a
Taxonomy Organosulfur compounds > Organic trisulfides
IUPAC Name 2-(2-hydroxyethyltrisulfanyl)ethanol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C4H10O2S3/c5-1-3-7-9-8-4-2-6/h5-6H,1-4H2
InChI Key PSTIDNOIODJAFC-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C4H10O2S3
Molecular Weight 186.30 g/mol
Exact Mass 185.98429308 g/mol
Topological Polar Surface Area (TPSA) 116.00 Ų
XlogP 0.00

Synonyms

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Antibiotic BS 1
Bis(2-hydroxyethyl) trisulfide
4428-14-2
2-(2-hydroxyethyltrisulfanyl)ethanol
ETHANOL, 2,2'-TRITHIOBIS-
ZU2OG5OJW7
NSC-127171
DTXSID10196100
RefChem:917245
DTXCID80118591
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Bis(2-hydroxyethyl) trisulfide

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.01% 96.09%
CHEMBL2885 P07451 Carbonic anhydrase III 83.17% 87.45%
CHEMBL226 P30542 Adenosine A1 receptor 81.93% 95.93%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 20483
LOTUS LTS0103254
wikiData Q83069192