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80881-53-4 | 2H-1,4-Thiazin-2-one, 5,6-dihydro-3-(1-methylethyl)-, oxime
CAS No: 80881-53-4 Catalog No: AG005IAL MDL No:
Product Description
Catalog Number:
AG005IAL
Chemical Name:
2H-1,4-Thiazin-2-one, 5,6-dihydro-3-(1-methylethyl)-, oxime
CAS Number:
80881-53-4
Molecular Formula:
C7H12N2OS
Molecular Weight:
172.2480
IUPAC Name:
N-(5-propan-2-yl-2,3-dihydro-1,4-thiazin-6-ylidene)hydroxylamine
InChI:
InChI=1S/C7H12N2OS/c1-5(2)6-7(9-10)11-4-3-8-6/h5,10H,3-4H2,1-2H3
InChI Key:
CLEQZTHCUDNGFT-UHFFFAOYSA-N
SMILES:
ON=C1SCCN=C1C(C)C
Properties
Complexity:
199
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:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.5
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