1-(ethylsulfinylmethylsulfanyl)ethane

C5H12OS2 — CID 3015888

IUPAC1-(ethylsulfinylmethylsulfanyl)ethane
SMILESCCSCS(=O)CC
InChIInChI=1S/C5H12OS2/c1-3-7-5-8(6)4-2/h3-5H2,1-2H3
InChIKeyNWBCRWCKZUXDNV-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.47
Rot. Bonds4

About 1-(ethylsulfinylmethylsulfanyl)ethane

1-(ethylsulfinylmethylsulfanyl)ethane (PubChem CID 3015888) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is 1-(ethylsulfinylmethylsulfanyl)ethane.

Molecular Properties

Compound Name1-(ethylsulfinylmethylsulfanyl)ethane
PubChem CID3015888
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Name1-(ethylsulfinylmethylsulfanyl)ethane
SMILESCCSCS(=O)CC
InChIInChI=1S/C5H12OS2/c1-3-7-5-8(6)4-2/h3-5H2,1-2H3
InChIKeyNWBCRWCKZUXDNV-UHFFFAOYSA-N
XLogP1.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Diethyl sulfoxide
CID 6263
1-Ethylsulfinylsulfanylethane
CID 229427
Ethane, (methylsulfinyl)-
CID 121148
Methyl 1-(methylsulfinyl)propyl disulfide
CID 14704626
1-(Methylsulfinyl)propyl propyl disulfide
CID 14704627
Sulfoxide, isopropyl methyl
CID 139683
1,2-Bis(methylsulfinyl)ethane
CID 6333864
1,2-Bis(ethylsulfinyl)ethane
CID 6377095
1-Methylsulfanyl-1-methylsulfinylethane
CID 12426217
2-Methyl-1,3-dithiolane 1-oxide
CID 12719665
1-(Methanesulfonyl)-1-(methylsulfanyl)ethane
CID 12759865
CID 20185712
CID 20185712

Frequently Asked Questions

What is the IUPAC name of 1-(ethylsulfinylmethylsulfanyl)ethane?
The IUPAC name of 1-(ethylsulfinylmethylsulfanyl)ethane (CID 3015888) is 1-(ethylsulfinylmethylsulfanyl)ethane.
What is the SMILES notation for 1-(ethylsulfinylmethylsulfanyl)ethane?
The canonical SMILES for 1-(ethylsulfinylmethylsulfanyl)ethane is CCSCS(=O)CC.
What is the InChIKey of 1-(ethylsulfinylmethylsulfanyl)ethane?
The InChIKey is NWBCRWCKZUXDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-3-7-5-8(6)4-2/h3-5H2,1-2H3.
What are the key properties of 1-(ethylsulfinylmethylsulfanyl)ethane?
1-(ethylsulfinylmethylsulfanyl)ethane has a molecular weight of 152.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylsulfinylmethylsulfanyl)ethane is sourced from PubChem (CID 3015888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).