Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: 22551-26-4, 3-methylthio-1,2-propanediol, 3-methylsulfanylpropane-1,2-diol, 3-methylthiopropane-1,2-diol, 3-(methylsulfanyl)propane-1,2-diol, Einecs 245-073-1
Molecular Formula
C4H10O2S
Molecular Weight
122.19  g/mol
InChI Key
FXIHXPKPLPKPJH-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methylsulfanylpropane-1,2-diol
2.1.2 InChI
InChI=1S/C4H10O2S/c1-7-3-4(6)2-5/h4-6H,2-3H2,1H3
2.1.3 InChI Key
FXIHXPKPLPKPJH-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CSCC(CO)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 22551-26-4

2. 3-methylthio-1,2-propanediol

3. 3-methylsulfanylpropane-1,2-diol

4. 3-methylthiopropane-1,2-diol

5. 3-(methylsulfanyl)propane-1,2-diol

6. Einecs 245-073-1

7. S-methyl-thioglycerol

8. Schembl1049328

9. Fxihxpkplpkpjh-uhfffaoysa-

10. 3-(methylthio)propane-1,2-diol

11. Dtxsid00945205

12. 1,2-propanediol, 3-(methylthio)-

13. Akos006229273

14. 3-(methylsulfanyl)-1,2-propanediol #

15. Da-07931

16. Ft-0730852

17. Z1126770422

2.3 Create Date
2005-03-27
3 Chemical and Physical Properties
Molecular Weight 122.19 g/mol
Molecular Formula C4H10O2S
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass122.04015073 g/mol
Monoisotopic Mass122.04015073 g/mol
Topological Polar Surface Area65.8 Ų
Heavy Atom Count7
Formal Charge0
Complexity40.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1