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22390-69-8 | 5-methyl-2h-1,4-thiazin-3(4h)-one
CAS No: 22390-69-8 Catalog No: AG006Y5H MDL No:
Product Description
Catalog Number:
AG006Y5H
Chemical Name:
5-methyl-2h-1,4-thiazin-3(4h)-one
CAS Number:
22390-69-8
Molecular Formula:
C5H7NOS
Molecular Weight:
129.1802
IUPAC Name:
5-methyl-4H-1,4-thiazin-3-one
InChI:
InChI=1S/C5H7NOS/c1-4-2-8-3-5(7)6-4/h2H,3H2,1H3,(H,6,7)
InChI Key:
GYYVFGWKPDSNLK-UHFFFAOYSA-N
SMILES:
O=C1CSC=C(N1)C
NSC Number:
152580
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
129.025g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
129.177g/mol
Monoisotopic Mass:
129.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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