ethane;O-ethyl N-methylcarbamothioate

C6H15NOS — CID 144562571

IUPACethane;O-ethyl N-methylcarbamothioate
SMILESCC.CCOC(=S)NC
InChIInChI=1S/C4H9NOS.C2H6/c1-3-6-4(7)5-2;1-2/h3H2,1-2H3,(H,5,7);1-2H3
InChIKeyYGSUDGFEAYNPMG-UHFFFAOYSA-N
MW149.26 g/mol
LogP1.55
Rot. Bonds1

About ethane;O-ethyl N-methylcarbamothioate

ethane;O-ethyl N-methylcarbamothioate (PubChem CID 144562571) has the molecular formula C6H15NOS and a molecular weight of 149.26 g/mol. Its IUPAC name is ethane;O-ethyl N-methylcarbamothioate.

Molecular Properties

Compound Nameethane;O-ethyl N-methylcarbamothioate
PubChem CID144562571
Molecular FormulaC6H15NOS
Molecular Weight149.26 g/mol
Exact Mass149.09
IUPAC Nameethane;O-ethyl N-methylcarbamothioate
SMILESCC.CCOC(=S)NC
InChIInChI=1S/C4H9NOS.C2H6/c1-3-6-4(7)5-2;1-2/h3H2,1-2H3,(H,5,7);1-2H3
InChIKeyYGSUDGFEAYNPMG-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;O-ethyl N-methylcarbamothioate?
The IUPAC name of ethane;O-ethyl N-methylcarbamothioate (CID 144562571) is ethane;O-ethyl N-methylcarbamothioate.
What is the SMILES notation for ethane;O-ethyl N-methylcarbamothioate?
The canonical SMILES for ethane;O-ethyl N-methylcarbamothioate is CC.CCOC(=S)NC.
What is the InChIKey of ethane;O-ethyl N-methylcarbamothioate?
The InChIKey is YGSUDGFEAYNPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NOS.C2H6/c1-3-6-4(7)5-2;1-2/h3H2,1-2H3,(H,5,7);1-2H3.
What are the key properties of ethane;O-ethyl N-methylcarbamothioate?
ethane;O-ethyl N-methylcarbamothioate has a molecular weight of 149.26 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;O-ethyl N-methylcarbamothioate is sourced from PubChem (CID 144562571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).