Basic information
- CAS
1092279-03-2- Standard SMILES
CC(C)(C)OC(=O)N1CCNC2CS(=O)(=O)CC21- InChIKey
KOZDDZXSEPRNPZ-UHFFFAOYSA-N- Molecular formula
- C11H20N2O4S
- Average molar mass
- 276.35 g/mol
Names & identifiers
- Preferred name
- tert-butyl hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide
- IUPAC
- tert-butyl 6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carboxylate
- English name
- tert-butyl hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxide
- Molecular formula
- C11H20N2O4S
- Molecular weight
- 276.35
Names & synonyms
1092279-03-2tert-butyl hexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate 6,6-dioxideMFCD11107802tert-butyl 6,6-dioxo-2,3,4a,5,7,7a-hexahydro-1H-thieno[3,4-b]pyrazine-4-carboxylatetert-butyl 6,6-dioxo-octahydro-6??-thieno[3,4-b]pyrazine-1-carboxylatethieno[3,4-b]pyrazine-1(2H)-carboxylic acid, hexahydro-, 1,1-dimethylethyl ester, 6,6-dioxide1-Boc-octahydrothieno[3,4-b]pyrazine 6,6-DioxideALBB-027198AKOS017258576LS-09311SY394988H43428
Show more names
1-Boc-6,6-dioxohexahydrothieno[3,4-b]pyrazine1-(t-butoxycarbonyl)octahydrothieno[3,4-b]pyrazine 6,6-dioxidetert-butyl 6,6-dioxo-octahydro-6|E?-thieno[3,4-b]pyrazine-1-carboxylatetert-butylhexahydrothieno[3,4-b]pyrazine-1(2H)-carboxylate6,6-dioxide
Database identifiers
- CAS
1092279-03-2
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 435
Physicochemical properties
- Boiling point
- 454.4 · 454.4±40.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 6.61 · 6.61±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501
Chemistry & industry
Suppliers3 total
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 13651849907 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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