ethyl-methylidyne-oxo-λ6-sulfane

C3H6OS — CID 145181210

IUPACethyl-methylidyne-oxo-λ6-sulfane
SMILESC#S(=O)CC
InChIInChI=1S/C3H6OS/c1-3-5(2)4/h2H,3H2,1H3
InChIKeyLADJUAGRCUCPNO-UHFFFAOYSA-N
MW90.15 g/mol
LogP0.34
Rot. Bonds

About ethyl-methylidyne-oxo-λ6-sulfane

ethyl-methylidyne-oxo-λ6-sulfane (PubChem CID 145181210) has the molecular formula C3H6OS and a molecular weight of 90.15 g/mol. Its IUPAC name is ethyl-methylidyne-oxo-λ6-sulfane.

Molecular Properties

Compound Nameethyl-methylidyne-oxo-λ6-sulfane
PubChem CID145181210
Molecular FormulaC3H6OS
Molecular Weight90.15 g/mol
Exact Mass90.01
IUPAC Nameethyl-methylidyne-oxo-λ6-sulfane
SMILESC#S(=O)CC
InChIInChI=1S/C3H6OS/c1-3-5(2)4/h2H,3H2,1H3
InChIKeyLADJUAGRCUCPNO-UHFFFAOYSA-N
XLogP0.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethyl-methylidyne-oxo-λ6-sulfane?
The IUPAC name of ethyl-methylidyne-oxo-λ6-sulfane (CID 145181210) is ethyl-methylidyne-oxo-λ6-sulfane.
What is the SMILES notation for ethyl-methylidyne-oxo-λ6-sulfane?
The canonical SMILES for ethyl-methylidyne-oxo-λ6-sulfane is C#S(=O)CC.
What is the InChIKey of ethyl-methylidyne-oxo-λ6-sulfane?
The InChIKey is LADJUAGRCUCPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6OS/c1-3-5(2)4/h2H,3H2,1H3.
What are the key properties of ethyl-methylidyne-oxo-λ6-sulfane?
ethyl-methylidyne-oxo-λ6-sulfane has a molecular weight of 90.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methylidyne-oxo-λ6-sulfane is sourced from PubChem (CID 145181210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).