2-(2-methylphenoxy)ethyl thiocyanate

C10H11NOS — CID 11790057

IUPAC2-(2-methylphenoxy)ethyl thiocyanate
SMILESCc1ccccc1OCCSC#N
InChIInChI=1S/C10H11NOS/c1-9-4-2-3-5-10(9)12-6-7-13-8-11/h2-5H,6-7H2,1H3
InChIKeyDRRCXHVIQWSNOX-UHFFFAOYSA-N
MW193.27 g/mol
LogP2.59
Rot. Bonds4

About 2-(2-methylphenoxy)ethyl thiocyanate

2-(2-methylphenoxy)ethyl thiocyanate (PubChem CID 11790057) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is 2-(2-methylphenoxy)ethyl thiocyanate.

Molecular Properties

Compound Name2-(2-methylphenoxy)ethyl thiocyanate
PubChem CID11790057
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name2-(2-methylphenoxy)ethyl thiocyanate
SMILESCc1ccccc1OCCSC#N
InChIInChI=1S/C10H11NOS/c1-9-4-2-3-5-10(9)12-6-7-13-8-11/h2-5H,6-7H2,1H3
InChIKeyDRRCXHVIQWSNOX-UHFFFAOYSA-N
XLogP2.59
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)ethyl thiocyanate?
The IUPAC name of 2-(2-methylphenoxy)ethyl thiocyanate (CID 11790057) is 2-(2-methylphenoxy)ethyl thiocyanate.
What is the SMILES notation for 2-(2-methylphenoxy)ethyl thiocyanate?
The canonical SMILES for 2-(2-methylphenoxy)ethyl thiocyanate is Cc1ccccc1OCCSC#N.
What is the InChIKey of 2-(2-methylphenoxy)ethyl thiocyanate?
The InChIKey is DRRCXHVIQWSNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NOS/c1-9-4-2-3-5-10(9)12-6-7-13-8-11/h2-5H,6-7H2,1H3.
What are the key properties of 2-(2-methylphenoxy)ethyl thiocyanate?
2-(2-methylphenoxy)ethyl thiocyanate has a molecular weight of 193.27 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)ethyl thiocyanate is sourced from PubChem (CID 11790057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).