Basic information
- CAS
1312117-74-0- Standard SMILES
CC(C)(C)OC(=O)Nc1cc2c(s1)CCC2- InChIKey
LLIIQRRYFRWRMS-UHFFFAOYSA-N- Molecular formula
- C12H17NO2S
- Average molar mass
- 239.34 g/mol
- Monoisotopic mass
- 239.09799978
Names & identifiers
- Preferred name
- tert-butyl N-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamate
- IUPAC
- tert-butyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamate
- English name
- tert-Butyl N-{4H,5H,6H-cyclopenta-[b]thiophen-2-yl}carbamate
- Molecular formula
- C12H17NO2S
- Molecular weight
- 239.33
Names & synonyms
1312117-74-0tert-butyl N-{4H,5H,6H-cyclopenta[b]thiophen-2-yl}carbamatetert-Butyl (5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamateMFCD19381755tert-Butyl n-(4h,5h,6h-cyclopenta[b]thiophen-2-yl)carbamatetert-butyl N-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamatetert-Butyl N-{4H,5H,6H-cyclopenta-[b]thiophen-2-yl}carbamatetert-butyl N-[4H,5H,6H-cyclopenta[b]thiophen-2-yl]carbamateSCHEMBL15409702LLIIQRRYFRWRMS-UHFFFAOYSA-NDTXSID101130314MCC11774
Show more names
Carbamic acid, N-(5,6-dihydro-4H-cyclopenta[b]thien-2-yl)-, 1,1-dimethylethyl ester
AKOS015991392EF-0721SY158195EN300-180276F88288F980623N-Boc-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amineZ1505716000
Database identifiers
- CAS
1312117-74-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 275
Physicochemical properties
- Boiling point
- 303.1 · 303.1±42.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
- storage temp.
- Store at room temperature
- pka
- 13 · 13+-.0.20(Predicted)
- Appearance
- White to off-white Solid
- 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
Suppliers6 total
上海康恩博医药科技有限公司17510465506 · [email protected]
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
苏州拜傲克生物科技有限公司18626188356 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
2 records
Compound notes
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