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Home Carboxys Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS No.:
213192-26-8
Catalog Number:
AG00BD0B
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$74
- +
5g
98%
1 week
United States
$170
- +
25g
98%
1 week
United States
$587
- +
100g
98%
1 week
United States
$2114
- +
Product Description
Catalog Number:
AG00BD0B
Chemical Name:
Methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CAS Number:
213192-26-8
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
MDL Number:
MFCD01114965
IUPAC Name:
methyl 2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
InChI:
InChI=1S/C14H21NO2S/c1-14(2,3)8-5-6-9-10(7-8)18-12(15)11(9)13(16)17-4/h8H,5-7,15H2,1-4H3
InChI Key:
BYFPSGIBNPFZOY-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(N)sc2c1CCC(C2)C(C)(C)C
Properties
Complexity:
326  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.129g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.387g/mol
Monoisotopic Mass:
267.129g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties