5-(methylsulfanylmethyl)oxolane-2,3,4-triol

C6H12O4S — CID 494

IUPAC5-(methylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCSCC1OC(O)C(O)C1O
InChIInChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3
InChIKeyOLVVOVIFTBSBBH-UHFFFAOYSA-N
MW180.22 g/mol
LogP-1.21
Rot. Bonds2

About 5-(methylsulfanylmethyl)oxolane-2,3,4-triol

5-(methylsulfanylmethyl)oxolane-2,3,4-triol (PubChem CID 494) has the molecular formula C6H12O4S and a molecular weight of 180.22 g/mol. Its IUPAC name is 5-(methylsulfanylmethyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name5-(methylsulfanylmethyl)oxolane-2,3,4-triol
PubChem CID494
Molecular FormulaC6H12O4S
Molecular Weight180.22 g/mol
Exact Mass180.05
IUPAC Name5-(methylsulfanylmethyl)oxolane-2,3,4-triol
SMILESCSCC1OC(O)C(O)C1O
InChIInChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3
InChIKeyOLVVOVIFTBSBBH-UHFFFAOYSA-N
XLogP-1.21
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The IUPAC name of 5-(methylsulfanylmethyl)oxolane-2,3,4-triol (CID 494) is 5-(methylsulfanylmethyl)oxolane-2,3,4-triol.
What is the SMILES notation for 5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The canonical SMILES for 5-(methylsulfanylmethyl)oxolane-2,3,4-triol is CSCC1OC(O)C(O)C1O.
What is the InChIKey of 5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
The InChIKey is OLVVOVIFTBSBBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3.
What are the key properties of 5-(methylsulfanylmethyl)oxolane-2,3,4-triol?
5-(methylsulfanylmethyl)oxolane-2,3,4-triol has a molecular weight of 180.22 g/mol, XLogP of -1.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylsulfanylmethyl)oxolane-2,3,4-triol is sourced from PubChem (CID 494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).