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721418-85-5 | 5-methyl-N-[4-(propan-2-yl)phenyl]-1,3-thiazolidin-2-imine
CAS No: 721418-85-5 Catalog No: AG019HPQ MDL No:MFCD13677358
Product Description
Catalog Number:
AG019HPQ
Chemical Name:
5-methyl-N-[4-(propan-2-yl)phenyl]-1,3-thiazolidin-2-imine
CAS Number:
721418-85-5
Molecular Formula:
C13H18N2S
Molecular Weight:
234.3604
MDL Number:
MFCD13677358
IUPAC Name:
5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
InChI:
InChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15)
InChI Key:
IYNRNHQPHMUBKD-UHFFFAOYSA-N
SMILES:
CC1CNC(=Nc2ccc(cc2)C(C)C)S1
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.119g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.361g/mol
Monoisotopic Mass:
234.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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