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80881-47-6 | 5(2H)-Thiazolone, 4-methyl-2-(1-methylethyl)-, oxime
CAS No: 80881-47-6 Catalog No: AG0056Y4 MDL No:
Product Description
Catalog Number:
AG0056Y4
Chemical Name:
5(2H)-Thiazolone, 4-methyl-2-(1-methylethyl)-, oxime
CAS Number:
80881-47-6
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
IUPAC Name:
N-(4-methyl-2-propan-2-yl-2H-1,3-thiazol-5-ylidene)hydroxylamine
InChI:
InChI=1S/C7H12N2OS/c1-4(2)6-8-5(3)7(9-10)11-6/h4,6,10H,1-3H3
InChI Key:
WQMSEEQMYYTEMC-UHFFFAOYSA-N
SMILES:
ON=C1SC(N=C1C)C(C)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.067g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.246g/mol
Monoisotopic Mass:
172.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.9
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