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Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 3 USDMF

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3 USDMF

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Chemistry

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Also known as: 3079-28-5, 1-(methylsulfinyl)decane, Decane, 1-(methylsulfinyl)-, 1-decyl methyl sulfoxide, 1-methylsulfinyldecane, Gkv59f869b

Molecular Formula

C₁₁H₂₄OS

Molecular Weight

204.37 g/mol

InChI Key

NZJXADCEESMBPW-UHFFFAOYSA-N

FDA UNII

GKV59F869B

1 2D Structure

N-Decylmethyl Sulfoxide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-methylsulfinyldecane

2.1.2 InChI

InChI=1S/C11H24OS/c1-3-4-5-6-7-8-9-10-11-13(2)12/h3-11H2,1-2H3

2.1.3 InChI Key

NZJXADCEESMBPW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCS(=O)C

2.2 Other Identifiers

2.2.1 UNII

GKV59F869B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1-decyl Methyl Sulfoxide

2. N-decylmethyl Sulfoxide

3. N-decylmethylsulfoxide

2.3.2 Depositor-Supplied Synonyms

1. 3079-28-5

2. 1-(methylsulfinyl)decane

3. Decane, 1-(methylsulfinyl)-

4. 1-decyl Methyl Sulfoxide

5. 1-methylsulfinyldecane

6. Gkv59f869b

7. 1-(methylsulphinyl)decane

8. Decylmethyl Sulfoxide

9. Sulfoxide, Decyl Methyl

10. Unii-gkv59f869b

11. Decylmethylsulfoxide

12. Einecs 221-368-0

13. N-decylmethylsulfoxide

14. Decyl Methyl Sulphoxide

15. N-decylmethyl Sulfoxide

16. N-decyl-methyl Sulfoxide

17. Schembl29144

18. N-decyl-methyl Sulphoxide

19. Dtxsid60863097

20. Decyl Methyl Sulfoxide [ii]

21. Ft-0699755

22. Q27279150

2.4 Create Date

2005-03-27

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₂₄OS
Molecular Weight	204.37 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	9
Exact Mass	204.15478656 g/mol
Monoisotopic Mass	204.15478656 g/mol
Topological Polar Surface Area	36.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	123
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1