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Home Other Building Blocks 6-methyl-3-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

6-methyl-3-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine

CAS No.:
796067-54-4
Catalog Number:
AG019NRH
Molecular Formula:
C17H19NOS
Molecular Weight:
285.4039
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Product Description
Catalog Number:
AG019NRH
Chemical Name:
6-methyl-3-(3-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
CAS Number:
796067-54-4
Molecular Formula:
C17H19NOS
Molecular Weight:
285.4039
MDL Number:
MFCD06370781
IUPAC Name:
(2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-methylphenyl)methanone
InChI:
InChI=1S/C17H19NOS/c1-10-4-3-5-12(8-10)16(19)15-13-7-6-11(2)9-14(13)20-17(15)18/h3-5,8,11H,6-7,9,18H2,1-2H3
InChI Key:
LVFUJBNKVVMXQX-UHFFFAOYSA-N
SMILES:
CC1CCc2c(C1)sc(c2C(=O)c1cccc(c1)C)N
Properties
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.119g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
285.405g/mol
Monoisotopic Mass:
285.119g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
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