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17536-53-7 | Thiophene, 3,4-dibromotetrahydro-3-methyl-, 1,1-dioxide
CAS No: 17536-53-7 Catalog No: AG0020Y3 MDL No:MFCD00195915
Product Description
Catalog Number:
AG0020Y3
Chemical Name:
Thiophene, 3,4-dibromotetrahydro-3-methyl-, 1,1-dioxide
CAS Number:
17536-53-7
Molecular Formula:
C5H8Br2O2S
Molecular Weight:
291.9888
MDL Number:
MFCD00195915
IUPAC Name:
3,4-dibromo-3-methylthiolane 1,1-dioxide
InChI:
InChI=1S/C5H8Br2O2S/c1-5(7)3-10(8,9)2-4(5)6/h4H,2-3H2,1H3
InChI Key:
NRTPKWCCOPMHSN-UHFFFAOYSA-N
SMILES:
BrC1CS(=O)(=O)CC1(C)Br
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.859g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.985g/mol
Monoisotopic Mass:
289.861g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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