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148810-83-7 | Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl)-, (4R-cis)- (9CI)
CAS No: 148810-83-7 Catalog No: AG001L7W MDL No:MFCD23704953
Product Description
Catalog Number:
AG001L7W
Chemical Name:
Acetamide, N-(5,6-dihydro-6-methyl-7,7-dioxido-4H-thieno[2,3-b]thiopyran-4-yl)-, (4R-cis)- (9CI)
CAS Number:
148810-83-7
Molecular Formula:
C10H13NO3S2
Molecular Weight:
259.3451
MDL Number:
MFCD23704953
IUPAC Name:
N-[(4R,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
InChI:
InChI=1S/C10H13NO3S2/c1-6-5-9(11-7(2)12)8-3-4-15-10(8)16(6,13)14/h3-4,6,9H,5H2,1-2H3,(H,11,12)/t6-,9+/m0/s1
InChI Key:
WJXLCNFSFHSWMJ-IMTBSYHQSA-N
SMILES:
CC(=O)N[C@@H]1C[C@H](C)S(=O)(=O)c2c1ccs2
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
259.034g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.338g/mol
Monoisotopic Mass:
259.034g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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