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1003-46-9 | Thiophene, tetrahydro-2-methyl-, 1,1-dioxide
CAS No: 1003-46-9 Catalog No: AG0001IJ MDL No:
Product Description
Catalog Number:
AG0001IJ
Chemical Name:
Thiophene, tetrahydro-2-methyl-, 1,1-dioxide
CAS Number:
1003-46-9
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
IUPAC Name:
2-methylthiolane 1,1-dioxide
InChI:
InChI=1S/C5H10O2S/c1-5-3-2-4-8(5,6)7/h5H,2-4H2,1H3
InChI Key:
PPDFQRAASCRJAH-UHFFFAOYSA-N
SMILES:
CC1CCCS1(=O)=O
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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