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104163-35-1 | (3-Methylthiophen-2-yl)methanamine
CAS No: 104163-35-1 Catalog No: AG003BSS MDL No:MFCD02093988
Product Description
Catalog Number:
AG003BSS
Chemical Name:
(3-Methylthiophen-2-yl)methanamine
CAS Number:
104163-35-1
Molecular Formula:
C6H9NS
Molecular Weight:
127.2074
MDL Number:
MFCD02093988
IUPAC Name:
(3-methylthiophen-2-yl)methanamine
InChI:
InChI=1S/C6H9NS/c1-5-2-3-8-6(5)4-7/h2-3H,4,7H2,1H3
InChI Key:
SWZNXCABBUKIPZ-UHFFFAOYSA-N
SMILES:
NCc1sccc1C
Properties
Complexity:
74.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.046g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
127.205g/mol
Monoisotopic Mass:
127.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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