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885460-74-2 | N-(2,4-dimethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS No: 885460-74-2 Catalog No: AG019K0W MDL No:MFCD06655192
Product Description
Catalog Number:
AG019K0W
Chemical Name:
N-(2,4-dimethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
CAS Number:
885460-74-2
Molecular Formula:
C15H15N3OS2
Molecular Weight:
317.4291
MDL Number:
MFCD06655192
IUPAC Name:
N-(2,4-dimethylphenyl)-N-[4-(isothiocyanatomethyl)-1,3-thiazol-2-yl]acetamide
InChI:
InChI=1S/C15H15N3OS2/c1-10-4-5-14(11(2)6-10)18(12(3)19)15-17-13(8-21-15)7-16-9-20/h4-6,8H,7H2,1-3H3
InChI Key:
OHZHRRZVLYRDNT-UHFFFAOYSA-N
SMILES:
S=C=NCc1csc(n1)N(c1ccc(cc1C)C)C(=O)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.425g/mol
Monoisotopic Mass:
317.066g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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