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88406-79-5 | 2H-1,3-Thiazine-2-thione, 5-acetyl-3,6-dihydro-
CAS No: 88406-79-5 Catalog No: AG008D1O MDL No:
Product Description
Catalog Number:
AG008D1O
Chemical Name:
2H-1,3-Thiazine-2-thione, 5-acetyl-3,6-dihydro-
CAS Number:
88406-79-5
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
IUPAC Name:
1-(2-sulfanylidene-3,6-dihydro-1,3-thiazin-5-yl)ethanone
InChI:
InChI=1S/C6H7NOS2/c1-4(8)5-2-7-6(9)10-3-5/h2H,3H2,1H3,(H,7,9)
InChI Key:
ZBIKRHJSBJMKJB-UHFFFAOYSA-N
SMILES:
CC(=O)C1=CNC(=S)SC1
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.248g/mol
Monoisotopic Mass:
172.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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