(2S)-2-propan-2-ylsulfanylbutane

C7H16S — CID 92859736

IUPAC(2S)-2-propan-2-ylsulfanylbutane
SMILESCC[C@H](C)SC(C)C
InChIInChI=1S/C7H16S/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyQFJOWMMNNIEXPT-ZETCQYMHSA-N
MW132.27 g/mol
LogP2.93
Rot. Bonds3

About (2S)-2-propan-2-ylsulfanylbutane

(2S)-2-propan-2-ylsulfanylbutane (PubChem CID 92859736) has the molecular formula C7H16S and a molecular weight of 132.27 g/mol. Its IUPAC name is (2S)-2-propan-2-ylsulfanylbutane.

Molecular Properties

Compound Name(2S)-2-propan-2-ylsulfanylbutane
PubChem CID92859736
Molecular FormulaC7H16S
Molecular Weight132.27 g/mol
Exact Mass132.10
IUPAC Name(2S)-2-propan-2-ylsulfanylbutane
SMILESCC[C@H](C)SC(C)C
InChIInChI=1S/C7H16S/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3/t7-/m0/s1
InChIKeyQFJOWMMNNIEXPT-ZETCQYMHSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-propan-2-ylsulfanylbutane?
The IUPAC name of (2S)-2-propan-2-ylsulfanylbutane (CID 92859736) is (2S)-2-propan-2-ylsulfanylbutane.
What is the SMILES notation for (2S)-2-propan-2-ylsulfanylbutane?
The canonical SMILES for (2S)-2-propan-2-ylsulfanylbutane is CC[C@H](C)SC(C)C.
What is the InChIKey of (2S)-2-propan-2-ylsulfanylbutane?
The InChIKey is QFJOWMMNNIEXPT-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H16S/c1-5-7(4)8-6(2)3/h6-7H,5H2,1-4H3/t7-/m0/s1.
What are the key properties of (2S)-2-propan-2-ylsulfanylbutane?
(2S)-2-propan-2-ylsulfanylbutane has a molecular weight of 132.27 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propan-2-ylsulfanylbutane is sourced from PubChem (CID 92859736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).