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18015-15-1 | Thiophene, 2,5-dihydro-3,4-dimethyl-, 1-oxide
CAS No: 18015-15-1 Catalog No: AG0021QU MDL No:
Product Description
Catalog Number:
AG0021QU
Chemical Name:
Thiophene, 2,5-dihydro-3,4-dimethyl-, 1-oxide
CAS Number:
18015-15-1
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
IUPAC Name:
3,4-dimethyl-2,5-dihydrothiophene 1-oxide
InChI:
InChI=1S/C6H10OS/c1-5-3-8(7)4-6(5)2/h3-4H2,1-2H3
InChI Key:
RSJLCUPJPKFRBB-UHFFFAOYSA-N
SMILES:
CC1=C(C)CS(=O)C1
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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