1-ethylsulfanyl-1-methylsulfanylethane

C5H12S2 — CID 525448

IUPAC1-ethylsulfanyl-1-methylsulfanylethane
SMILESCCSC(C)SC
InChIInChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3
InChIKeyRLVVEDPRNSYGPR-UHFFFAOYSA-N
MW136.28 g/mol
LogP2.45
Rot. Bonds3

About 1-ethylsulfanyl-1-methylsulfanylethane

1-ethylsulfanyl-1-methylsulfanylethane (PubChem CID 525448) has the molecular formula C5H12S2 and a molecular weight of 136.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-methylsulfanylethane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-methylsulfanylethane
PubChem CID525448
Molecular FormulaC5H12S2
Molecular Weight136.28 g/mol
Exact Mass136.04
IUPAC Name1-ethylsulfanyl-1-methylsulfanylethane
SMILESCCSC(C)SC
InChIInChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3
InChIKeyRLVVEDPRNSYGPR-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1-methylsulfanylethane?
The IUPAC name of 1-ethylsulfanyl-1-methylsulfanylethane (CID 525448) is 1-ethylsulfanyl-1-methylsulfanylethane.
What is the SMILES notation for 1-ethylsulfanyl-1-methylsulfanylethane?
The canonical SMILES for 1-ethylsulfanyl-1-methylsulfanylethane is CCSC(C)SC.
What is the InChIKey of 1-ethylsulfanyl-1-methylsulfanylethane?
The InChIKey is RLVVEDPRNSYGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S2/c1-4-7-5(2)6-3/h5H,4H2,1-3H3.
What are the key properties of 1-ethylsulfanyl-1-methylsulfanylethane?
1-ethylsulfanyl-1-methylsulfanylethane has a molecular weight of 136.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-methylsulfanylethane is sourced from PubChem (CID 525448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).