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Also known as: 2109226-54-0, 3-methanesulfonyl-3-methylbut-1-yne, 3-methyl-3-methylsulfonyl-but-1-yne, 3-methyl-3-methylsulfonylbut-1-yne, 3-methyl-3-(methylsulfonyl)-1-butyne, Mfcd32840678
Molecular Formula
C6H10O2S
Molecular Weight
146.21  g/mol
InChI Key
TVWUIROEZGTISF-UHFFFAOYSA-N

2109226-54-0
1 2D Structure

2109226-54-0

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methyl-3-methylsulfonylbut-1-yne
2.1.2 InChI
InChI=1S/C6H10O2S/c1-5-6(2,3)9(4,7)8/h1H,2-4H3
2.1.3 InChI Key
TVWUIROEZGTISF-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 2109226-54-0

2. 3-methanesulfonyl-3-methylbut-1-yne

3. 3-methyl-3-methylsulfonyl-but-1-yne

4. 3-methyl-3-methylsulfonylbut-1-yne

5. 3-methyl-3-(methylsulfonyl)-1-butyne

6. Mfcd32840678

7. Schembl14351697

8. Akos040766062

9. At19835

10. Pb48874

11. Ps-16614

12. Cs-0147011

13. En300-27183154

14. Z3685973272

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 146.21 g/mol
Molecular Formula C6H10O2S
XLogP30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area42.5
Heavy Atom Count9
Formal Charge0
Complexity232
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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