Basic information
- CAS
1388894-05-0- Standard SMILES
CC(C)(C)[Si](C)(C)OCC[C@H]1CCc2sc3ncnc(Cl)c3c21- InChIKey
JTAASKVSKUEBKH-LLVKDONJSA-N- Molecular formula
- C17H25ClN2OSSi
- Average molar mass
- 369 g/mol
- Monoisotopic mass
- 368.1145388
Names & identifiers
- Preferred name
- (R)-5-(2-((Tert-butyldimethylsilyl)oxy)ethyl)-4-chloro-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-D]pyrimidine
- IUPAC
- tert-butyl-[2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethoxy]-dimethylsilane
- English name
- (R)-5-(2-((Tert-Butyldimethylsilyl)Oxy)Ethyl)-4-Chloro-6,7-Dihydro-5H-Cyclopenta[4,5]Thieno[2,3-D]Pyrimidine
- Molecular formula
- C17H25ClN2OSSi
- Molecular weight
- 369
Names & synonyms
1388894-05-0(R)-5-(2-((TERT-BUTYLDIMETHYLSILYL)OXY)ETHYL)-4-CHLORO-6,7-DIHYDRO-5H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDINE(3R)-3-{2-[(tert-butyldimethylsilyl)oxy]ethyl}-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0(2),?]dodeca-1(12),2(6),8,10-tetraenetert-butyl-[2-[(3R)-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-3-yl]ethoxy]-dimethylsilaneC17H25ClN2OSSiSCHEMBL15112231JTAASKVSKUEBKH-LLVKDONJSA-NDTXSID101105559AKOS030628322AS-74925W12937(3R)-3-[2-[(tert-butyldimethylsilyl)oxy]ethyl]-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0[2,6]]dodeca-1(12),2(6),8,10-tetraene
Show more names
(R)-5-(2-((Tert-Butyldimethylsilyl)Oxy)Ethyl)-4-Chloro-6,7-Dihydro-5H-Cyclopenta[4,5]Thieno[2,3-D]Pyrimidine(WXC05018)5H-Cyclopenta[4,5]thieno[2,3-d]pyrimidine, 4-chloro-5-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]ethyl]-6,7-dihydro-, (5R)-(3R)-3-[2-[(tert-butyldimethylsilyl)oxy]ethyl]-12-chloro-7-thia-9,11-diazatricyclo[6.4.0.0(2,6)]dodeca-1(8),2(6),9,11-tetraene
Properties
Computed structural properties
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 431
Physicochemical properties
- Boiling point
- 427.9 · 427.9±40.0 °C(Predicted)
- Density
- 1.155 · 1.155±0.06 g/cm3(Predicted)
- pka
- 0.76 · 0.76±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Related reactions
5 records
Compound notes
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