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893724-08-8 | 5-[(3,4-dimethylphenyl)methyl]-2,3-dihydro-1,3-thiazol-2-imine
CAS No: 893724-08-8 Catalog No: AG01A796 MDL No:MFCD06496545
Product Description
Catalog Number:
AG01A796
Chemical Name:
5-[(3,4-dimethylphenyl)methyl]-2,3-dihydro-1,3-thiazol-2-imine
CAS Number:
893724-08-8
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
MDL Number:
MFCD06496545
IUPAC Name:
5-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C12H14N2S/c1-8-3-4-10(5-9(8)2)6-11-7-14-12(13)15-11/h3-5,7H,6H2,1-2H3,(H2,13,14)
InChI Key:
KISOHOLEJPVTJI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C)Cc1c[nH]c(=N)s1
Properties
Complexity:
210
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:
3.3
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