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Home > Thiazole > 1339123-16-8
1339123-16-8 | 3,4-dimethyl-N-(1,3-thiazol-5-ylmethyl)aniline
CAS No: 1339123-16-8 Catalog No: AG01AV7S MDL No:MFCD16865379
Product Description
Catalog Number:
AG01AV7S
Chemical Name:
3,4-dimethyl-N-(1,3-thiazol-5-ylmethyl)aniline
CAS Number:
1339123-16-8
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD16865379
IUPAC Name:
3,4-dimethyl-N-(1,3-thiazol-5-ylmethyl)aniline
InChI:
InChI=1S/C12H14N2S/c1-9-3-4-11(5-10(9)2)14-7-12-6-13-8-15-12/h3-6,8,14H,7H2,1-2H3
InChI Key:
NKTVUCVDKDWUPU-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)NCc1cncs1
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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