Fosthiazate

Details

• Internal ID: cc91bed5-b2f1-4593-a0b0-0862791c3cf8
• Taxonomy: Organoheterocyclic compounds > Azolidines > Thiazolidines
• IUPAC Name: 3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
• SMILES (Canonical): CCC(C)SP(=O)(N1CCSC1=O)OCC
• SMILES (Isomeric): CCC(C)SP(=O)(N1CCSC1=O)OCC
• InChI: InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
• InChI Key: DUFVKSUJRWYZQP-UHFFFAOYSA-N
• Popularity: 125 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₈NO₃PS₂
• Molecular Weight: 283.40 g/mol
• Exact Mass: 283.04657278 g/mol
• Topological Polar Surface Area (TPSA): 97.20 Ų
• XlogP: 2.00

Synonyms

• 98886-44-3
• Nemathorin
• Fosthiazate [ISO:BSI]
• (RS)-S-sec-butyl-O-ethyl-2-oxo-1,3-thiazolidin-3-ylphosphonothioate
• 3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
• O-Ethyl S-(1-methylpropyl) (2-oxo-3-thiazolidinyl)phosphonothioate
• DTXSID0034930
• CHEBI:38692
• 96QJ4O095U
• Fosthiazate 10 microg/mL in Acetonitrile
• S-sec-butyl O-ethyl (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate
• FOSTHIAZATE (ISO:BSI)
• ethyl (butan-2-ylsulfanyl)(2-oxo-1,3-thiazolidin-3-yl)phosphinate
• O-ethyl S-(butan-2-yl) (2-oxo-1,3-thiazolidin-3-yl)phosphonothioate
• IKI 1145
• ASC-66824
• UNII-96QJ4O095U
• 3-[ethoxy-[(1S)-1-methylpropyl]sulfanyl-phosphoryl]thiazolidin-2-one
• HSDB 7961
• FOSTHIAZATE-1
• FOSTHIAZATE-2
• FOSTHIAZATE [MI]
• O-Ethyl S-(1-methylpropyl) 2-oxo-3-thiazolidinylphosphonothioate
• S-sec-Butyl O-ethyl (2-oxo-1,3-thiazolidine-3-yl)phosphonothioate
• FOSTHIAZATE [ISO]
• Phosphonothioic acid, (2-oxo-3-thiazolidinyl)-, O-ethyl S-(1-methylpropyl) ester
• SCHEMBL73578
• CHEMBL1905657
• DTXCID8014930
• DUFVKSUJRWYZQP-UHFFFAOYSA-
• S-sec-Butyl O-ethyl 2-oxo-3-thiazolidinylphosphonothioate
• DUFVKSUJRWYZQP-UHFFFAOYSA-N
• Tox21_301059
• AKOS015897274
• NCGC00168316-01
• NCGC00168316-02
• NCGC00254961-01
• CAS-98886-44-3
• FT-0652182
• C18402
• Fosthiazate, PESTANAL(R), analytical standard
• A845920
• Q1266349
• S-sec-butyl O-ethyl 2-oxothiazolidin-3-ylphosphonothioate
• 3-(butan-2-ylsulfanyl-ethoxyphosphoryl)-1,3-thiazolidin-2-one
• (RS)-(S-(RS)-SEC-BUTYL O-ETHYL 2-OXO-1,3-THIAZOLIDIN-3-YLPHOSPHONOTHIOATE)
• (RS)-S-SEC-BUTYL-O-ETHYL-2-OXO-1,3-THIAZOLODIN-3-YLPHOSPHONOTHIOATE
• InChI=1/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3

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
CHEMBL2581	P07339	Cathepsin D	94.97%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	94.89%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.81%	95.56%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	83.75%	97.29%

Plants that contains it

• Capparis spinosa

Cross-Links

• PubChem: 91758
• LOTUS: LTS0108661
• wikiData: Q1266349