Home Other Building Blocks (1,3-benzothiazol-5-yl)methanamine

(1,3-benzothiazol-5-yl)methanamine

CAS No.:
933725-07-6
Catalog Number:
AG01BKEY
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
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Product Description
Catalog Number:
AG01BKEY
Chemical Name:
(1,3-benzothiazol-5-yl)methanamine
CAS Number:
933725-07-6
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD12408381
IUPAC Name:
1,3-benzothiazol-5-ylmethanamine
InChI:
InChI=1S/C8H8N2S/c9-4-6-1-2-8-7(3-6)10-5-11-8/h1-3,5H,4,9H2
InChI Key:
FNFFILJWRNVPRK-UHFFFAOYSA-N
SMILES:
NCc1ccc2c(c1)ncs2
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties