Home Other Building Blocks [5-(trifluoromethyl)thiophen-3-yl]methanamine

[5-(trifluoromethyl)thiophen-3-yl]methanamine

CAS No.:
1519773-90-0
Catalog Number:
AG01BXSH
Molecular Formula:
C6H6F3NS
Molecular Weight:
181.1787
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Product Description
Catalog Number:
AG01BXSH
Chemical Name:
[5-(trifluoromethyl)thiophen-3-yl]methanamine
CAS Number:
1519773-90-0
Molecular Formula:
C6H6F3NS
Molecular Weight:
181.1787
MDL Number:
MFCD26516701
IUPAC Name:
[5-(trifluoromethyl)thiophen-3-yl]methanamine
InChI:
InChI=1S/C6H6F3NS/c7-6(8,9)5-1-4(2-10)3-11-5/h1,3H,2,10H2
InChI Key:
FVTUPSGMSCIQAI-UHFFFAOYSA-N
SMILES:
NCc1csc(c1)C(F)(F)F
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.017g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
181.176g/mol
Monoisotopic Mass:
181.017g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties