1 2D Structure

2D Structure

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 Formula	C₆H₁₀O₂S
Molecular Weight	146.21 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	42.5
Heavy Atom Count	9
Formal Charge	0
Complexity	232
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

2109226-54-0