2-naphthalen-2-yloxyethanethioamide

C12H11NOS — CID 7454258

IUPAC2-naphthalen-2-yloxyethanethioamide
SMILESNC(=S)COc1ccc2ccccc2c1
InChIInChI=1S/C12H11NOS/c13-12(15)8-14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,15)
InChIKeySBHHJRSUWRCFGW-UHFFFAOYSA-N
MW217.29 g/mol
LogP2.50
Rot. Bonds3

About 2-naphthalen-2-yloxyethanethioamide

2-naphthalen-2-yloxyethanethioamide (PubChem CID 7454258) has the molecular formula C12H11NOS and a molecular weight of 217.29 g/mol. Its IUPAC name is 2-naphthalen-2-yloxyethanethioamide.

Molecular Properties

Compound Name2-naphthalen-2-yloxyethanethioamide
PubChem CID7454258
Molecular FormulaC12H11NOS
Molecular Weight217.29 g/mol
Exact Mass217.06
IUPAC Name2-naphthalen-2-yloxyethanethioamide
SMILESNC(=S)COc1ccc2ccccc2c1
InChIInChI=1S/C12H11NOS/c13-12(15)8-14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,15)
InChIKeySBHHJRSUWRCFGW-UHFFFAOYSA-N
XLogP2.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2-dimethyl-5-naphthalen-2-yloxypentanethioamide
CID 65259756
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
N-[4-(carbamoylamino)phenyl]-2-naphthalen-2-yloxyacetamide
CID 33152788
2-bromoethyl 2-naphthalen-2-yloxyacetate
CID 22163309
(NZ)-N-(1-naphthalen-2-yl-2-naphthalen-2-yloxyethylidene)hydroxylamine
CID 122179768
2-ethoxynaphthalene
CID 118978197
4-(naphthalen-2-yloxymethyl)pyridine-2-carbothioamide
CID 63883286
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
2-(2-naphthalen-2-yloxyethyl)guanidine;hydroiodide
CID 75419016
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
N-(2-aminophenyl)-2-naphthalen-2-yloxyacetamide
CID 16792527

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yloxyethanethioamide?
The IUPAC name of 2-naphthalen-2-yloxyethanethioamide (CID 7454258) is 2-naphthalen-2-yloxyethanethioamide.
What is the SMILES notation for 2-naphthalen-2-yloxyethanethioamide?
The canonical SMILES for 2-naphthalen-2-yloxyethanethioamide is NC(=S)COc1ccc2ccccc2c1.
What is the InChIKey of 2-naphthalen-2-yloxyethanethioamide?
The InChIKey is SBHHJRSUWRCFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NOS/c13-12(15)8-14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H2,13,15).
What are the key properties of 2-naphthalen-2-yloxyethanethioamide?
2-naphthalen-2-yloxyethanethioamide has a molecular weight of 217.29 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yloxyethanethioamide is sourced from PubChem (CID 7454258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).