(2R)-2-methylsulfanylbutane

C5H12S — CID 7567733

IUPAC(2R)-2-methylsulfanylbutane
SMILESCC[C@@H](C)SC
InChIInChI=1S/C5H12S/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyIJRCRFQMYAJPPO-RXMQYKEDSA-N
MW104.22 g/mol
LogP2.15
Rot. Bonds2

About (2R)-2-methylsulfanylbutane

(2R)-2-methylsulfanylbutane (PubChem CID 7567733) has the molecular formula C5H12S and a molecular weight of 104.22 g/mol. Its IUPAC name is (2R)-2-methylsulfanylbutane.

Molecular Properties

Compound Name(2R)-2-methylsulfanylbutane
PubChem CID7567733
Molecular FormulaC5H12S
Molecular Weight104.22 g/mol
Exact Mass104.07
IUPAC Name(2R)-2-methylsulfanylbutane
SMILESCC[C@@H](C)SC
InChIInChI=1S/C5H12S/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1
InChIKeyIJRCRFQMYAJPPO-RXMQYKEDSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.22
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methylsulfanylbutane?
The IUPAC name of (2R)-2-methylsulfanylbutane (CID 7567733) is (2R)-2-methylsulfanylbutane.
What is the SMILES notation for (2R)-2-methylsulfanylbutane?
The canonical SMILES for (2R)-2-methylsulfanylbutane is CC[C@@H](C)SC.
What is the InChIKey of (2R)-2-methylsulfanylbutane?
The InChIKey is IJRCRFQMYAJPPO-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H12S/c1-4-5(2)6-3/h5H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of (2R)-2-methylsulfanylbutane?
(2R)-2-methylsulfanylbutane has a molecular weight of 104.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methylsulfanylbutane is sourced from PubChem (CID 7567733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).