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36891-54-0 | trans-tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide
CAS No: 36891-54-0 Catalog No: AG00J2O9 MDL No:MFCD28024752
Product Description
Catalog Number:
AG00J2O9
Chemical Name:
trans-tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one 5,5-dioxide
CAS Number:
36891-54-0
Molecular Formula:
C5H8N2O3S
Molecular Weight:
176.1936
MDL Number:
MFCD28024752
IUPAC Name:
(3aR,6aR)-5,5-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one
InChI:
InChI=1S/C5H8N2O3S/c8-5-6-3-1-11(9,10)2-4(3)7-5/h3-4H,1-2H2,(H2,6,7,8)/t3-,4-/m0/s1
InChI Key:
ZDWQNWWGFIYOOO-IMJSIDKUSA-N
SMILES:
O=C1N[C@@H]2[C@@H](N1)CS(=O)(=O)C2
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
176.026g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
176.19g/mol
Monoisotopic Mass:
176.026g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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