(2-hydroxynaphthalen-1-yl) thiocyanate

C11H7NOS — CID 102503978

IUPAC(2-hydroxynaphthalen-1-yl) thiocyanate
SMILESN#CSc1c(O)ccc2ccccc12
InChIInChI=1S/C11H7NOS/c12-7-14-11-9-4-2-1-3-8(9)5-6-10(11)13/h1-6,13H
InChIKeyGVYSGTDSLZPWSC-UHFFFAOYSA-N
MW201.25 g/mol
LogP3.12
Rot. Bonds1

About (2-hydroxynaphthalen-1-yl) thiocyanate

(2-hydroxynaphthalen-1-yl) thiocyanate (PubChem CID 102503978) has the molecular formula C11H7NOS and a molecular weight of 201.25 g/mol. Its IUPAC name is (2-hydroxynaphthalen-1-yl) thiocyanate.

Molecular Properties

Compound Name(2-hydroxynaphthalen-1-yl) thiocyanate
PubChem CID102503978
Molecular FormulaC11H7NOS
Molecular Weight201.25 g/mol
Exact Mass201.02
IUPAC Name(2-hydroxynaphthalen-1-yl) thiocyanate
SMILESN#CSc1c(O)ccc2ccccc12
InChIInChI=1S/C11H7NOS/c12-7-14-11-9-4-2-1-3-8(9)5-6-10(11)13/h1-6,13H
InChIKeyGVYSGTDSLZPWSC-UHFFFAOYSA-N
XLogP3.12
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxynaphthalen-1-yl) thiocyanate?
The IUPAC name of (2-hydroxynaphthalen-1-yl) thiocyanate (CID 102503978) is (2-hydroxynaphthalen-1-yl) thiocyanate.
What is the SMILES notation for (2-hydroxynaphthalen-1-yl) thiocyanate?
The canonical SMILES for (2-hydroxynaphthalen-1-yl) thiocyanate is N#CSc1c(O)ccc2ccccc12.
What is the InChIKey of (2-hydroxynaphthalen-1-yl) thiocyanate?
The InChIKey is GVYSGTDSLZPWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NOS/c12-7-14-11-9-4-2-1-3-8(9)5-6-10(11)13/h1-6,13H.
What are the key properties of (2-hydroxynaphthalen-1-yl) thiocyanate?
(2-hydroxynaphthalen-1-yl) thiocyanate has a molecular weight of 201.25 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxynaphthalen-1-yl) thiocyanate is sourced from PubChem (CID 102503978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).