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Home Aminos 2-amino-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

2-amino-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide

CAS No.:
301321-98-2
Catalog Number:
AG00C1UT
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00C1UT
Chemical Name:
2-amino-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CAS Number:
301321-98-2
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
MDL Number:
MFCD00782478
IUPAC Name:
2-amino-N-ethyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
InChI:
InChI=1S/C12H18N2OS/c1-2-14-12(15)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3,(H,14,15)
InChI Key:
OAPRCRIUXLGPCE-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1c(N)sc2c1CCCCC2
Properties
Complexity:
259  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.114g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
238.349g/mol
Monoisotopic Mass:
238.114g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
High-throughput assay for the identification of Hsp90 inhibitors based on Hsp90-dependent refolding of firefly luciferase. Bioorganic & medicinal chemistry 20070301
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties