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Home Aminos 2-amino-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-amino-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS No.:
590355-47-8
Catalog Number:
AG00JBQ0
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
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Product Description
Catalog Number:
AG00JBQ0
Chemical Name:
2-amino-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS Number:
590355-47-8
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
MDL Number:
MFCD03422654
IUPAC Name:
2-amino-N-cyclopropyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
InChI:
InChI=1S/C12H16N2OS/c13-11-10(12(15)14-7-5-6-7)8-3-1-2-4-9(8)16-11/h7H,1-6,13H2,(H,14,15)
InChI Key:
JVFADEBFYSTPSE-UHFFFAOYSA-N
SMILES:
O=C(c1c(N)sc2c1CCCC2)NC1CC1
Properties
Complexity:
293  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
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