O-(2-methylpropyl) N-phenylcarbamothioate

C11H15NOS — CID 777957

IUPACO-(2-methylpropyl) N-phenylcarbamothioate
SMILESCC(C)COC(=S)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(2)8-13-11(14)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,14)
InChIKeyZWNZTWZQIHCOAM-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.06
Rot. Bonds3

About O-(2-methylpropyl) N-phenylcarbamothioate

O-(2-methylpropyl) N-phenylcarbamothioate (PubChem CID 777957) has the molecular formula C11H15NOS and a molecular weight of 209.31 g/mol. Its IUPAC name is O-(2-methylpropyl) N-phenylcarbamothioate.

Molecular Properties

Compound NameO-(2-methylpropyl) N-phenylcarbamothioate
PubChem CID777957
Molecular FormulaC11H15NOS
Molecular Weight209.31 g/mol
Exact Mass209.09
IUPAC NameO-(2-methylpropyl) N-phenylcarbamothioate
SMILESCC(C)COC(=S)Nc1ccccc1
InChIInChI=1S/C11H15NOS/c1-9(2)8-13-11(14)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,14)
InChIKeyZWNZTWZQIHCOAM-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.06
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-phenylcarbamothioate?
The IUPAC name of O-(2-methylpropyl) N-phenylcarbamothioate (CID 777957) is O-(2-methylpropyl) N-phenylcarbamothioate.
What is the SMILES notation for O-(2-methylpropyl) N-phenylcarbamothioate?
The canonical SMILES for O-(2-methylpropyl) N-phenylcarbamothioate is CC(C)COC(=S)Nc1ccccc1.
What is the InChIKey of O-(2-methylpropyl) N-phenylcarbamothioate?
The InChIKey is ZWNZTWZQIHCOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NOS/c1-9(2)8-13-11(14)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,14).
What are the key properties of O-(2-methylpropyl) N-phenylcarbamothioate?
O-(2-methylpropyl) N-phenylcarbamothioate has a molecular weight of 209.31 g/mol, XLogP of 3.06, 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-phenylcarbamothioate is sourced from PubChem (CID 777957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).