Basic information
- CAS
577983-11-0- Standard SMILES
CC(C)OC(=O)CSc1nc2sc3c(c2c(=O)n1C)CCCC3- InChIKey
ODJSXSSYISCKLF-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3S2
- Average molar mass
- 352.5 g/mol
- Monoisotopic mass
- 352.09153485
Names & identifiers
- Preferred name
- Isopropyl [(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-D]pyrimidin-2-YL)sulfanyl]acetate
- IUPAC
- propan-2-yl 2-[(3-methyl-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Names & synonyms
577983-11-0ISOPROPYL [(3-METHYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-2-YL)SULFANYL]ACETATESTL340741AKOS002189114ST50082966isopropyl 2-((3-methyl-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetatemethylethyl 2-(3-methyl-4-oxo-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyri midin-2-ylthio)acetatepropan-2-yl [(3-methyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate
Database identifiers
- CAS
577983-11-0- PubChem CID
- 3690900
- EC Number
- 142-862-1
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 523
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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