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790681-63-9 | N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CAS No: 790681-63-9 Catalog No: AG019NLF MDL No:MFCD06358641
Product Description
Catalog Number:
AG019NLF
Chemical Name:
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
CAS Number:
790681-63-9
Molecular Formula:
C16H17N3OS2
Molecular Weight:
331.4557
MDL Number:
MFCD06358641
IUPAC Name:
N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]-N-(2,4,6-trimethylphenyl)acetamide
InChI:
InChI=1S/C16H17N3OS2/c1-10-5-11(2)15(12(3)6-10)19(13(4)20)16-18-14(8-22-16)7-17-9-21/h5-6,8H,7H2,1-4H3
InChI Key:
RAZLBWKVNMJYMA-UHFFFAOYSA-N
SMILES:
S=C=NCc1csc(n1)N(c1c(C)cc(cc1C)C)C(=O)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.081g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.452g/mol
Monoisotopic Mass:
331.081g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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