Home Other Building Blocks 2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

CAS No.:
1495923-92-6
Catalog Number:
AG01ACAT
Molecular Formula:
C13H13FN2S
Molecular Weight:
248.3191
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Product Description
Catalog Number:
AG01ACAT
Chemical Name:
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CAS Number:
1495923-92-6
Molecular Formula:
C13H13FN2S
Molecular Weight:
248.3191
MDL Number:
MFCD21458500
IUPAC Name:
2-(4-fluorophenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
InChI:
InChI=1S/C13H13FN2S/c14-9-6-4-8(5-7-9)13-16-12-10(15)2-1-3-11(12)17-13/h4-7,10H,1-3,15H2
InChI Key:
OKGUVMKYAWJIHF-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc2c(s1)CCCC2N
Properties
Complexity:
268  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.319g/mol
Monoisotopic Mass:
248.078g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties