ethylsulfanylethane

C4H10S — CID 9609

IUPACethylsulfanylethane
SMILESCCSCC
InChIInChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChIKeyLJSQFQKUNVCTIA-UHFFFAOYSA-N
MW90.19 g/mol
LogP1.76
Rot. Bonds2

About ethylsulfanylethane

ethylsulfanylethane (PubChem CID 9609) has the molecular formula C4H10S and a molecular weight of 90.19 g/mol. Its IUPAC name is ethylsulfanylethane.

Molecular Properties

Compound Nameethylsulfanylethane
PubChem CID9609
Molecular FormulaC4H10S
Molecular Weight90.19 g/mol
Exact Mass90.05
IUPAC Nameethylsulfanylethane
SMILESCCSCC
InChIInChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3
InChIKeyLJSQFQKUNVCTIA-UHFFFAOYSA-N
XLogP1.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.19
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Propyl sulfide
CID 8118
Ethyl propyl sulfide
CID 20063
Ethyl methyl sulfide
CID 12230
Ethane, 1,1-bis(ethylthio)-
CID 139711
2,5-Dithiahexane
CID 23110
Diisopropyl sulfide
CID 12264
Butyl ethyl sulfide
CID 12528
Ethyl isopropyl sulphide
CID 21228
Isopropyl Methyl Sulfide
CID 15246
3,6-Dithiaoctane
CID 79375
Ethyl dithioacetate
CID 70093
Isopropyl propyl sulfide
CID 78708

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane?
The IUPAC name of ethylsulfanylethane (CID 9609) is ethylsulfanylethane.
What is the SMILES notation for ethylsulfanylethane?
The canonical SMILES for ethylsulfanylethane is CCSCC.
What is the InChIKey of ethylsulfanylethane?
The InChIKey is LJSQFQKUNVCTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S/c1-3-5-4-2/h3-4H2,1-2H3.
What are the key properties of ethylsulfanylethane?
ethylsulfanylethane has a molecular weight of 90.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane is sourced from PubChem (CID 9609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).