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154127-42-1 | (S);-4-Hydroxy-2-(3-methoxypropyl);-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CAS No: 154127-42-1 Catalog No: AG007XRL MDL No:MFCD09033313
Product Description
Catalog Number:
AG007XRL
Chemical Name:
(S);-4-Hydroxy-2-(3-methoxypropyl);-3,4-dihydro-2H-thieno[3,2-e][1,2]thiazine-6-sulfonamide 1,1-dioxide
CAS Number:
154127-42-1
Molecular Formula:
C10H16N2O6S3
Molecular Weight:
356.4388
MDL Number:
MFCD09033313
IUPAC Name:
(4S)-4-hydroxy-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
InChI:
InChI=1S/C10H16N2O6S3/c1-18-4-2-3-12-6-8(13)7-5-9(20(11,14)15)19-10(7)21(12,16)17/h5,8,13H,2-4,6H2,1H3,(H2,11,14,15)/t8-/m1/s1
InChI Key:
UHIWBQIWXWWDKT-MRVPVSSYSA-N
SMILES:
COCCCN1C[C@@H](O)c2c(S1(=O)=O)sc(c2)S(=O)(=O)N
EC Number:
807-123-6
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
356.017g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.426g/mol
Monoisotopic Mass:
356.017g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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