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87904-99-2 | 2H-1,4-Thiazin-3(4H)-one, 6-bromo-4-(1-methylethyl)-
CAS No: 87904-99-2 Catalog No: AG004DZY MDL No:
Product Description
Catalog Number:
AG004DZY
Chemical Name:
2H-1,4-Thiazin-3(4H)-one, 6-bromo-4-(1-methylethyl)-
CAS Number:
87904-99-2
Molecular Formula:
C7H10BrNOS
Molecular Weight:
236.1294
IUPAC Name:
6-bromo-4-propan-2-yl-1,4-thiazin-3-one
InChI:
InChI=1S/C7H10BrNOS/c1-5(2)9-3-6(8)11-4-7(9)10/h3,5H,4H2,1-2H3
InChI Key:
YERRZPGMKLYULU-UHFFFAOYSA-N
SMILES:
BrC1=CN(C(=O)CS1)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:
234.967g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.127g/mol
Monoisotopic Mass:
234.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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