1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

dibutyl sulfite

2.1.2 InChI

InChI=1S/C8H18O3S/c1-3-5-7-10-12(9)11-8-6-4-2/h3-8H2,1-2H3

2.1.3 InChI Key

FEYYOXFAQQJEIG-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCOS(=O)OCCCC

2.2 Other Identifiers

2.2.1 UNII

U7NW3U1V9M

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Dibutyl Sulphite

2. 626-85-7

3. Sulfurous Acid, Dibutyl Ester

4. Butyl Sulfite (bu2so3)

5. Butyl Sulfite

6. Sulfurous Acid Dibutyl Ester

7. U7nw3u1v9m

8. Nsc-2587

9. Dibutylsulfit

10. Nsc 2587

11. Einecs 210-965-1

12. Di-n-butyl Sulphite

13. Unii-u7nw3u1v9m

14. Sulphurous Acid Dibutyl Ester

15. Schembl775328

16. Dtxsid3060825

17. Butyl Sulfite, (buo)2so

18. Nsc2587

19. Zinc1641014

20. Ft-0656171

21. A833926

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₈O₃S
Molecular Weight	194.29 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	194.09766561 g/mol
Monoisotopic Mass	194.09766561 g/mol
Topological Polar Surface Area	54.7 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	105
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

Dibutyl Sulfite