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86842-19-5 | 3-[2-(2,4-DIOXO-1,3-THIAZINAN-3-YL)ETHYL]-1,3-THIAZINANE-2,4-DIONE
CAS No: 86842-19-5 Catalog No: AG004IQH MDL No:
Product Description
Catalog Number:
AG004IQH
Chemical Name:
3-[2-(2,4-DIOXO-1,3-THIAZINAN-3-YL)ETHYL]-1,3-THIAZINANE-2,4-DIONE
CAS Number:
86842-19-5
Molecular Formula:
C10H12N2O4S2
Molecular Weight:
288.3433
IUPAC Name:
3-[2-(2,4-dioxo-1,3-thiazinan-3-yl)ethyl]-1,3-thiazinane-2,4-dione
InChI:
InChI=1S/C10H12N2O4S2/c13-7-1-5-17-9(15)11(7)3-4-12-8(14)2-6-18-10(12)16/h1-6H2
InChI Key:
KHYTWGXVTLFEFG-UHFFFAOYSA-N
SMILES:
O=C1CCSC(=O)N1CCN1C(=O)CCSC1=O
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.024g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.336g/mol
Monoisotopic Mass:
288.024g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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