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78614-35-4 | 3-[6-(2,4-dioxo-1,3-thiazinan-3-yl)hexyl]-1,3-thiazinane-2,4-dione
CAS No: 78614-35-4 Catalog No: AG00527F MDL No:
Product Description
Catalog Number:
AG00527F
Chemical Name:
3-[6-(2,4-dioxo-1,3-thiazinan-3-yl)hexyl]-1,3-thiazinane-2,4-dione
CAS Number:
78614-35-4
Molecular Formula:
C14H20N2O4S2
Molecular Weight:
344.4496
IUPAC Name:
3-[6-(2,4-dioxo-1,3-thiazinan-3-yl)hexyl]-1,3-thiazinane-2,4-dione
InChI:
InChI=1S/C14H20N2O4S2/c17-11-5-9-21-13(19)15(11)7-3-1-2-4-8-16-12(18)6-10-22-14(16)20/h1-10H2
InChI Key:
PTBUMDSWUCVPNK-UHFFFAOYSA-N
SMILES:
O=C1CCSC(=O)N1CCCCCCN1C(=O)CCSC1=O
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.086g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.444g/mol
Monoisotopic Mass:
344.086g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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