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885280-05-7 | (2-(3,5-Dimethylphenyl);thiazol-4-yl);methanamine
CAS No: 885280-05-7 Catalog No: AG0047AG MDL No:MFCD06738425
Product Description
Catalog Number:
AG0047AG
Chemical Name:
(2-(3,5-Dimethylphenyl);thiazol-4-yl);methanamine
CAS Number:
885280-05-7
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD06738425
IUPAC Name:
[2-(3,5-dimethylphenyl)-1,3-thiazol-4-yl]methanamine
InChI:
InChI=1S/C12H14N2S/c1-8-3-9(2)5-10(4-8)12-14-11(6-13)7-15-12/h3-5,7H,6,13H2,1-2H3
InChI Key:
CDXMXINYJVOIPU-UHFFFAOYSA-N
SMILES:
NCc1csc(n1)c1cc(C)cc(c1)C
Properties
Complexity:
200
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:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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