Home Other Building Blocks [1-benzothiophen-3-yl(2-methylcyclopropyl)methyl](methyl)amine

[1-benzothiophen-3-yl(2-methylcyclopropyl)methyl](methyl)amine

CAS No.:
1218404-81-9
Catalog Number:
AG019T8T
Molecular Formula:
C14H17NS
Molecular Weight:
231.3565
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Product Description
Catalog Number:
AG019T8T
Chemical Name:
[1-benzothiophen-3-yl(2-methylcyclopropyl)methyl](methyl)amine
CAS Number:
1218404-81-9
Molecular Formula:
C14H17NS
Molecular Weight:
231.3565
MDL Number:
MFCD12182593
IUPAC Name:
1-(1-benzothiophen-3-yl)-N-methyl-1-(2-methylcyclopropyl)methanamine
InChI:
InChI=1S/C14H17NS/c1-9-7-11(9)14(15-2)12-8-16-13-6-4-3-5-10(12)13/h3-6,8-9,11,14-15H,7H2,1-2H3
InChI Key:
BJAJMOZGDQACAP-UHFFFAOYSA-N
SMILES:
CNC(c1csc2c1cccc2)C1CC1C
Properties
Complexity:
255  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.108g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.357g/mol
Monoisotopic Mass:
231.108g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
3  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties