O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate

C18H15NOS — CID 12513594

IUPACO-naphthalen-2-yl N-methyl-N-phenylcarbamothioate
SMILESCN(C(=S)Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15NOS/c1-19(16-9-3-2-4-10-16)18(21)20-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3
InChIKeyWKJGHRYSSSNEFX-UHFFFAOYSA-N
MW293.39 g/mol
LogP4.64
Rot. Bonds2

About O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate

O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate (PubChem CID 12513594) has the molecular formula C18H15NOS and a molecular weight of 293.39 g/mol. Its IUPAC name is O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate.

Molecular Properties

Compound NameO-naphthalen-2-yl N-methyl-N-phenylcarbamothioate
PubChem CID12513594
Molecular FormulaC18H15NOS
Molecular Weight293.39 g/mol
Exact Mass293.09
IUPAC NameO-naphthalen-2-yl N-methyl-N-phenylcarbamothioate
SMILESCN(C(=S)Oc1ccc2ccccc2c1)c1ccccc1
InChIInChI=1S/C18H15NOS/c1-19(16-9-3-2-4-10-16)18(21)20-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3
InChIKeyWKJGHRYSSSNEFX-UHFFFAOYSA-N
XLogP4.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
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-naphthalen-2-yl N-methyl-N-phenylcarbamothioate?
The IUPAC name of O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate (CID 12513594) is O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate.
What is the SMILES notation for O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate?
The canonical SMILES for O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate is CN(C(=S)Oc1ccc2ccccc2c1)c1ccccc1.
What is the InChIKey of O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate?
The InChIKey is WKJGHRYSSSNEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NOS/c1-19(16-9-3-2-4-10-16)18(21)20-17-12-11-14-7-5-6-8-15(14)13-17/h2-13H,1H3.
What are the key properties of O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate?
O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate has a molecular weight of 293.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-naphthalen-2-yl N-methyl-N-phenylcarbamothioate is sourced from PubChem (CID 12513594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).