sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks 2-(2-cyanoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

2-(2-cyanoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

CAS No.:
383379-31-5
Catalog Number:
AG019I3Q
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG019I3Q
Chemical Name:
2-(2-cyanoacetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CAS Number:
383379-31-5
Molecular Formula:
C12H13N3O2S
Molecular Weight:
263.3155
MDL Number:
MFCD03987984
IUPAC Name:
2-[(2-cyanoacetyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
InChI:
InChI=1S/C12H13N3O2S/c13-6-5-9(16)15-12-10(11(14)17)7-3-1-2-4-8(7)18-12/h1-5H2,(H2,14,17)(H,15,16)
InChI Key:
ZRFVSGBEVWRTBD-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1sc2c(c1C(=O)N)CCCC2
Properties
Complexity:
403  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.073g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
263.315g/mol
Monoisotopic Mass:
263.073g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Synthesis and antimicrobial activities of some new thiazole and pyrazole derivatives based on 4,5,6,7-tetrahydrobenzothiophene moiety. European journal of medicinal chemistry 20100401
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