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2059987-02-7 | 3a-methyl-hexahydro-1lambda6-pyrrolo[1,2-b][1,2]thiazole-1,1,3-trione
CAS No: 2059987-02-7 Catalog No: AG01BRXI MDL No:MFCD30535941
Product Description
Catalog Number:
AG01BRXI
Chemical Name:
3a-methyl-hexahydro-1lambda6-pyrrolo[1,2-b][1,2]thiazole-1,1,3-trione
CAS Number:
2059987-02-7
Molecular Formula:
C7H11NO3S
Molecular Weight:
189.2321
MDL Number:
MFCD30535941
IUPAC Name:
3a-methyl-1,1-dioxo-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]thiazol-3-one
InChI:
InChI=1S/C7H11NO3S/c1-7-3-2-4-8(7)12(10,11)5-6(7)9/h2-5H2,1H3
InChI Key:
NLTLGQFKDLISSI-UHFFFAOYSA-N
SMILES:
O=C1CS(=O)(=O)N2C1(C)CCC2
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.229g/mol
Monoisotopic Mass:
189.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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