(2R)-2-ethyl-2-methylthiane

C8H16S — CID 170599361

IUPAC(2R)-2-ethyl-2-methylthiane
SMILESCC[C@]1(C)CCCCS1
InChIInChI=1S/C8H16S/c1-3-8(2)6-4-5-7-9-8/h3-7H2,1-2H3/t8-/m1/s1
InChIKeyXWKNLNWEWBPOQU-MRVPVSSYSA-N
MW144.28 g/mol
LogP3.07
Rot. Bonds1

About (2R)-2-ethyl-2-methylthiane

(2R)-2-ethyl-2-methylthiane (PubChem CID 170599361) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is (2R)-2-ethyl-2-methylthiane.

Molecular Properties

Compound Name(2R)-2-ethyl-2-methylthiane
PubChem CID170599361
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name(2R)-2-ethyl-2-methylthiane
SMILESCC[C@]1(C)CCCCS1
InChIInChI=1S/C8H16S/c1-3-8(2)6-4-5-7-9-8/h3-7H2,1-2H3/t8-/m1/s1
InChIKeyXWKNLNWEWBPOQU-MRVPVSSYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-2-methylthiane?
The IUPAC name of (2R)-2-ethyl-2-methylthiane (CID 170599361) is (2R)-2-ethyl-2-methylthiane.
What is the SMILES notation for (2R)-2-ethyl-2-methylthiane?
The canonical SMILES for (2R)-2-ethyl-2-methylthiane is CC[C@]1(C)CCCCS1.
What is the InChIKey of (2R)-2-ethyl-2-methylthiane?
The InChIKey is XWKNLNWEWBPOQU-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H16S/c1-3-8(2)6-4-5-7-9-8/h3-7H2,1-2H3/t8-/m1/s1.
What are the key properties of (2R)-2-ethyl-2-methylthiane?
(2R)-2-ethyl-2-methylthiane has a molecular weight of 144.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-2-methylthiane is sourced from PubChem (CID 170599361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).