Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Catalog No: FT-0678499

CAS No: 76981-71-0

Molecular Formula: 239.34
Formula Weight: C12H17NO2S
Inchl Key: WSOISFMHBFFWRQ-ZETCQYMHSA-N
Inchl: InChI=1S/C12H17NO2S/c1-3-15-12(14)10-8-5-4-7(2)6-9(8)16-11(10)13/h7H,3-6,13H2,1-2H3/t7-/m0/s1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

FW:	239.33400
CAS:	76981-71-0
Melting_Point:	N/A
Bolling_Point:	408.4ºC at 760 mmHg
MF:	C12H17NO2S
Product_Name:	Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
Flash_Point:	200.8ºC
Density:	1.182 g/cm3

FW:	239.33400
MF:	C12H17NO2S
Computational_Chemistry:	['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :3 ', '5. Isotope Atom Count :3 ', '6. TPSA 806 ', '7. Heavy Atom Count :16 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :272 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :1 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Bolling_Point:	408.4ºC at 760 mmHg
LogP:	3.21300
Density:	1.182 g/cm3
PSA:	80.56000
Refractive_Index:	1.573
Flash_Point:	200.8ºC
Exact_Mass:	239.09800
Molecular_Structure:	['1 . Molar refractive index 6677 ', '2 . Molar volume 2024 ', '3 . Parachor （902K）5264 ', '4 . Surface tension 457 ', '5 . Polarizability 2647']