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1003-78-7 | Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide
CAS No: 1003-78-7 Catalog No: AG0001I3 MDL No:MFCD00005485
Product Description
Catalog Number:
AG0001I3
Chemical Name:
Thiophene, tetrahydro-2,4-dimethyl-, 1,1-dioxide
CAS Number:
1003-78-7
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD00005485
IUPAC Name:
2,4-dimethylthiolane 1,1-dioxide
InChI:
InChI=1S/C6H12O2S/c1-5-3-6(2)9(7,8)4-5/h5-6H,3-4H2,1-2H3
InChI Key:
WKFQMDFSDQFAIC-UHFFFAOYSA-N
SMILES:
CC1CC(S(=O)(=O)C1)C
EC Number:
213-716-5
NSC Number:
60703
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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