ethane;2-ethylsulfinylpropane

C7H18OS — CID 90763779

IUPACethane;2-ethylsulfinylpropane
SMILESCC.CCS(=O)C(C)C
InChIInChI=1S/C5H12OS.C2H6/c1-4-7(6)5(2)3;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyCUBYEGBTDCYVLY-UHFFFAOYSA-N
MW150.29 g/mol
LogP2.19
Rot. Bonds2

About ethane;2-ethylsulfinylpropane

ethane;2-ethylsulfinylpropane (PubChem CID 90763779) has the molecular formula C7H18OS and a molecular weight of 150.29 g/mol. Its IUPAC name is ethane;2-ethylsulfinylpropane.

Molecular Properties

Compound Nameethane;2-ethylsulfinylpropane
PubChem CID90763779
Molecular FormulaC7H18OS
Molecular Weight150.29 g/mol
Exact Mass150.11
IUPAC Nameethane;2-ethylsulfinylpropane
SMILESCC.CCS(=O)C(C)C
InChIInChI=1S/C5H12OS.C2H6/c1-4-7(6)5(2)3;1-2/h5H,4H2,1-3H3;1-2H3
InChIKeyCUBYEGBTDCYVLY-UHFFFAOYSA-N
XLogP2.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.29
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

propan-2-ylsulfinylmethanethiol
CID 146656946
1-[(S)-propan-2-ylsulfinyl]decane
CID 10955441
2-(2-chloroethylsulfinyl)propane
CID 55302794
propan-2-ylsulfinylmethanesulfinic acid
CID 89072296
N-ethyl-1-propan-2-ylsulfinylpropan-2-amine
CID 64656204
N,N-dimethyl-2-propan-2-ylsulfinylethanamine
CID 123112524
2-ethylsulfinylbutanal
CID 20521768
N-ethyl-4-ethylsulfinylpentan-2-amine
CID 64704614
3-ethylsulfinyl-N-propylbutan-2-amine
CID 64651293
3-propan-2-ylsulfinyl-N-propylpropan-1-amine
CID 64654588
1-ethylsulfanyl-1-ethylsulfinylpropane
CID 71361502
2-propan-2-ylsulfinylpropane
CID 158857141

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethylsulfinylpropane?
The IUPAC name of ethane;2-ethylsulfinylpropane (CID 90763779) is ethane;2-ethylsulfinylpropane.
What is the SMILES notation for ethane;2-ethylsulfinylpropane?
The canonical SMILES for ethane;2-ethylsulfinylpropane is CC.CCS(=O)C(C)C.
What is the InChIKey of ethane;2-ethylsulfinylpropane?
The InChIKey is CUBYEGBTDCYVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS.C2H6/c1-4-7(6)5(2)3;1-2/h5H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;2-ethylsulfinylpropane?
ethane;2-ethylsulfinylpropane has a molecular weight of 150.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethylsulfinylpropane is sourced from PubChem (CID 90763779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).