1-ethylsulfanyl-1-nitrosoethane

C4H9NOS — CID 54368738

IUPAC1-ethylsulfanyl-1-nitrosoethane
SMILESCCSC(C)N=O
InChIInChI=1S/C4H9NOS/c1-3-7-4(2)5-6/h4H,3H2,1-2H3
InChIKeyURQMPNHAUMYQJI-UHFFFAOYSA-N
MW119.19 g/mol
LogP1.85
Rot. Bonds3

About 1-ethylsulfanyl-1-nitrosoethane

1-ethylsulfanyl-1-nitrosoethane (PubChem CID 54368738) has the molecular formula C4H9NOS and a molecular weight of 119.19 g/mol. Its IUPAC name is 1-ethylsulfanyl-1-nitrosoethane.

Molecular Properties

Compound Name1-ethylsulfanyl-1-nitrosoethane
PubChem CID54368738
Molecular FormulaC4H9NOS
Molecular Weight119.19 g/mol
Exact Mass119.04
IUPAC Name1-ethylsulfanyl-1-nitrosoethane
SMILESCCSC(C)N=O
InChIInChI=1S/C4H9NOS/c1-3-7-4(2)5-6/h4H,3H2,1-2H3
InChIKeyURQMPNHAUMYQJI-UHFFFAOYSA-N
XLogP1.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1-nitrosoethane?
The IUPAC name of 1-ethylsulfanyl-1-nitrosoethane (CID 54368738) is 1-ethylsulfanyl-1-nitrosoethane.
What is the SMILES notation for 1-ethylsulfanyl-1-nitrosoethane?
The canonical SMILES for 1-ethylsulfanyl-1-nitrosoethane is CCSC(C)N=O.
What is the InChIKey of 1-ethylsulfanyl-1-nitrosoethane?
The InChIKey is URQMPNHAUMYQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS/c1-3-7-4(2)5-6/h4H,3H2,1-2H3.
What are the key properties of 1-ethylsulfanyl-1-nitrosoethane?
1-ethylsulfanyl-1-nitrosoethane has a molecular weight of 119.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1-nitrosoethane is sourced from PubChem (CID 54368738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).