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82409-26-5 | 2H-1,4-Thiazin-3(4H)-one, 2-methoxy-4-(1-methylethyl)-
CAS No: 82409-26-5 Catalog No: AG0052DA MDL No:
Product Description
Catalog Number:
AG0052DA
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 2-methoxy-4-(1-methylethyl)-
CAS Number:
82409-26-5
Molecular Formula:
C8H13NO2S
Molecular Weight:
187.2593
IUPAC Name:
2-methoxy-4-propan-2-yl-1,4-thiazin-3-one
InChI:
InChI=1S/C8H13NO2S/c1-6(2)9-4-5-12-8(11-3)7(9)10/h4-6,8H,1-3H3
InChI Key:
GMGOIKGJXDCEOS-UHFFFAOYSA-N
SMILES:
COC1SC=CN(C1=O)C(C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.067g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.257g/mol
Monoisotopic Mass:
187.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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