(2R)-4-methylsulfanylbutane-1,2-diol

C5H12O2S — CID 10920564

IUPAC(2R)-4-methylsulfanylbutane-1,2-diol
SMILESCSCC[C@@H](O)CO
InChIInChI=1S/C5H12O2S/c1-8-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyMDBSFZVXGRMTLI-RXMQYKEDSA-N
MW136.22 g/mol
LogP0.09
Rot. Bonds4

About (2R)-4-methylsulfanylbutane-1,2-diol

(2R)-4-methylsulfanylbutane-1,2-diol (PubChem CID 10920564) has the molecular formula C5H12O2S and a molecular weight of 136.22 g/mol. Its IUPAC name is (2R)-4-methylsulfanylbutane-1,2-diol.

Molecular Properties

Compound Name(2R)-4-methylsulfanylbutane-1,2-diol
PubChem CID10920564
Molecular FormulaC5H12O2S
Molecular Weight136.22 g/mol
Exact Mass136.06
IUPAC Name(2R)-4-methylsulfanylbutane-1,2-diol
SMILESCSCC[C@@H](O)CO
InChIInChI=1S/C5H12O2S/c1-8-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1
InChIKeyMDBSFZVXGRMTLI-RXMQYKEDSA-N
XLogP0.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.22
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfanylbutane-1,2-diol?
The IUPAC name of (2R)-4-methylsulfanylbutane-1,2-diol (CID 10920564) is (2R)-4-methylsulfanylbutane-1,2-diol.
What is the SMILES notation for (2R)-4-methylsulfanylbutane-1,2-diol?
The canonical SMILES for (2R)-4-methylsulfanylbutane-1,2-diol is CSCC[C@@H](O)CO.
What is the InChIKey of (2R)-4-methylsulfanylbutane-1,2-diol?
The InChIKey is MDBSFZVXGRMTLI-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12O2S/c1-8-3-2-5(7)4-6/h5-7H,2-4H2,1H3/t5-/m1/s1.
What are the key properties of (2R)-4-methylsulfanylbutane-1,2-diol?
(2R)-4-methylsulfanylbutane-1,2-diol has a molecular weight of 136.22 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfanylbutane-1,2-diol is sourced from PubChem (CID 10920564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).