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30897-26-8 | 4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-
CAS No: 30897-26-8 Catalog No: AG0031LT MDL No:
Product Description
Catalog Number:
AG0031LT
Chemical Name:
4H-1,3-Thiazin-4-one, 2-(4-chlorophenyl)tetrahydro-3-methyl-
CAS Number:
30897-26-8
Molecular Formula:
C11H12ClNOS
Molecular Weight:
241.7371
IUPAC Name:
2-(4-chlorophenyl)-3-methyl-1,3-thiazinan-4-one
InChI:
InChI=1S/C11H12ClNOS/c1-13-10(14)6-7-15-11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChI Key:
AMIDZXQBSZMUEL-UHFFFAOYSA-N
SMILES:
CN1C(=O)CCSC1c1ccc(cc1)Cl
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.033g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
241.733g/mol
Monoisotopic Mass:
241.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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