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852180-46-2 | Thiazole,5-isocyanato-4-methyl-2-phenyl-
CAS No: 852180-46-2 Catalog No: AG004MFJ MDL No:MFCD07368510
Product Description
Catalog Number:
AG004MFJ
Chemical Name:
Thiazole,5-isocyanato-4-methyl-2-phenyl-
CAS Number:
852180-46-2
Molecular Formula:
C11H8N2OS
Molecular Weight:
216.2590
MDL Number:
MFCD07368510
IUPAC Name:
5-isocyanato-4-methyl-2-phenyl-1,3-thiazole
InChI:
InChI=1S/C11H8N2OS/c1-8-10(12-7-14)15-11(13-8)9-5-3-2-4-6-9/h2-6H,1H3
InChI Key:
FWBAVPZUNSTTRF-UHFFFAOYSA-N
SMILES:
O=C=Nc1sc(nc1C)c1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.258g/mol
Monoisotopic Mass:
216.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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