Basic information
- CAS
618427-72-8- Standard SMILES
CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC- InChIKey
NRDASRJESYTZPU-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4S2
- Average molar mass
- 383.5 g/mol
- Monoisotopic mass
- 383.09734851
Names & identifiers
- Preferred name
- Ethyl ({[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-D]pyrimidin-2-YL)sulfanyl]acetyl}amino)acetate
- IUPAC
- ethyl 2-[[2-(3-ethyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]amino]acetate
- English name
- SALOR-INT L412600-1EA
- Molecular formula
- C16H21N3O4S2
- Molecular weight
- 383.49
Names & synonyms
618427-72-8ETHYL ({[(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL}AMINO)ACETATEETHYL ((((3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO(2,3-D)PYRIMIDIN-2-YL)SULFANYL)ACETYL)AMINO)ACETATERefChem:592846638-134-2Ethyl 2-(2-((3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)acetamido)acetateSTL339609AKOS002188402ST50081299ethyl 2-[2-(3-ethyl-5,6-dimethyl-4-oxo-3-hydrothiopheno[2,3-d]pyrimidin-2-ylth io)acetylamino]acetateethyl N-{[(3-ethyl-5,6-dimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetyl}glycinateSALOR-INT L412600-1EA
Show more names
ETHYL (([(3-ETHYL-5,6-DIMETHYL-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETYL)AMINO)ACETATEGlycine, N-[[(3-ethyl-3,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]acetyl]-, ethyl ester (9CI)
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 570
Physicochemical properties
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 12.8 · 12.80±0.46(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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