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80881-42-1 | 5(2H)-Thiazolone, 2-ethyl-2,4-dimethyl-, oxime
CAS No: 80881-42-1 Catalog No: AG005IAP MDL No:
Product Description
Catalog Number:
AG005IAP
Chemical Name:
5(2H)-Thiazolone, 2-ethyl-2,4-dimethyl-, oxime
CAS Number:
80881-42-1
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
IUPAC Name:
N-(2-ethyl-2,4-dimethyl-1,3-thiazol-5-ylidene)hydroxylamine
InChI:
InChI=1S/C7H12N2OS/c1-4-7(3)8-5(2)6(9-10)11-7/h10H,4H2,1-3H3
InChI Key:
VUPVJCDKRNRNKH-UHFFFAOYSA-N
SMILES:
ON=C1SC(N=C1C)(C)CC
Properties
Complexity:
225
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:
1.7
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