O-(2-methylpropyl) N-ethylcarbamothioate

C7H15NOS — CID 3034831

IUPACO-(2-methylpropyl) N-ethylcarbamothioate
SMILESCCNC(=S)OCC(C)C
InChIInChI=1S/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)
InChIKeyHMZPXZFXOANPHS-UHFFFAOYSA-N
MW161.27 g/mol
LogP1.55
Rot. Bonds3

About O-(2-methylpropyl) N-ethylcarbamothioate

O-(2-methylpropyl) N-ethylcarbamothioate (PubChem CID 3034831) has the molecular formula C7H15NOS and a molecular weight of 161.27 g/mol. Its IUPAC name is O-(2-methylpropyl) N-ethylcarbamothioate.

Molecular Properties

Compound NameO-(2-methylpropyl) N-ethylcarbamothioate
PubChem CID3034831
Molecular FormulaC7H15NOS
Molecular Weight161.27 g/mol
Exact Mass161.09
IUPAC NameO-(2-methylpropyl) N-ethylcarbamothioate
SMILESCCNC(=S)OCC(C)C
InChIInChI=1S/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10)
InChIKeyHMZPXZFXOANPHS-UHFFFAOYSA-N
XLogP1.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.27
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 O-(2-methylpropyl) N-ethylcarbamothioate?
The IUPAC name of O-(2-methylpropyl) N-ethylcarbamothioate (CID 3034831) is O-(2-methylpropyl) N-ethylcarbamothioate.
What is the SMILES notation for O-(2-methylpropyl) N-ethylcarbamothioate?
The canonical SMILES for O-(2-methylpropyl) N-ethylcarbamothioate is CCNC(=S)OCC(C)C.
What is the InChIKey of O-(2-methylpropyl) N-ethylcarbamothioate?
The InChIKey is HMZPXZFXOANPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NOS/c1-4-8-7(10)9-5-6(2)3/h6H,4-5H2,1-3H3,(H,8,10).
What are the key properties of O-(2-methylpropyl) N-ethylcarbamothioate?
O-(2-methylpropyl) N-ethylcarbamothioate has a molecular weight of 161.27 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-(2-methylpropyl) N-ethylcarbamothioate is sourced from PubChem (CID 3034831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).