3-ethylsulfanyl-3-ethylsulfinylheptane

C11H24OS2 — CID 121219388

IUPAC3-ethylsulfanyl-3-ethylsulfinylheptane
SMILESCCCCC(CC)(SCC)S(=O)CC
InChIInChI=1S/C11H24OS2/c1-5-9-10-11(6-2,13-7-3)14(12)8-4/h5-10H2,1-4H3
InChIKeyCEBUUTLFUANYFW-UHFFFAOYSA-N
MW236.45 g/mol
LogP3.80
Rot. Bonds8

About 3-ethylsulfanyl-3-ethylsulfinylheptane

3-ethylsulfanyl-3-ethylsulfinylheptane (PubChem CID 121219388) has the molecular formula C11H24OS2 and a molecular weight of 236.45 g/mol. Its IUPAC name is 3-ethylsulfanyl-3-ethylsulfinylheptane.

Molecular Properties

Compound Name3-ethylsulfanyl-3-ethylsulfinylheptane
PubChem CID121219388
Molecular FormulaC11H24OS2
Molecular Weight236.45 g/mol
Exact Mass236.13
IUPAC Name3-ethylsulfanyl-3-ethylsulfinylheptane
SMILESCCCCC(CC)(SCC)S(=O)CC
InChIInChI=1S/C11H24OS2/c1-5-9-10-11(6-2,13-7-3)14(12)8-4/h5-10H2,1-4H3
InChIKeyCEBUUTLFUANYFW-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-3-[3-methylheptan-3-yl(sulfino)amino]heptane
CID 91184478
2-ethylsulfanyl-2-methylhexanoic acid
CID 167523833
4-ethylsulfanyl-4-ethylsulfinyl-2-methylhexan-3-ol
CID 121223299
3-chloro-3-ethylsulfanylheptan-2-one
CID 11321749
2-methyl-2-methylsulfinylhexane
CID 89314102
2-methylhexane-2-sulfinamide
CID 123826931
4,4-diethyloctane;ethane
CID 177031380
5-ethyl-5-(nitrosomethyl)nonane
CID 118288001
sodium ethanesulfinic acid
CID 19960758
5,8-dibutyl-5,8-diethyldodecane
CID 140960006
2-ethylsulfanyl-2-methyloctanoic acid
CID 114989323
sulfino 2-amino-2-butylhexanoate
CID 59925768

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-3-ethylsulfinylheptane?
The IUPAC name of 3-ethylsulfanyl-3-ethylsulfinylheptane (CID 121219388) is 3-ethylsulfanyl-3-ethylsulfinylheptane.
What is the SMILES notation for 3-ethylsulfanyl-3-ethylsulfinylheptane?
The canonical SMILES for 3-ethylsulfanyl-3-ethylsulfinylheptane is CCCCC(CC)(SCC)S(=O)CC.
What is the InChIKey of 3-ethylsulfanyl-3-ethylsulfinylheptane?
The InChIKey is CEBUUTLFUANYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24OS2/c1-5-9-10-11(6-2,13-7-3)14(12)8-4/h5-10H2,1-4H3.
What are the key properties of 3-ethylsulfanyl-3-ethylsulfinylheptane?
3-ethylsulfanyl-3-ethylsulfinylheptane has a molecular weight of 236.45 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-3-ethylsulfinylheptane is sourced from PubChem (CID 121219388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).