methyl thiocyanate

C2H3NS — CID 11168

IUPACmethyl thiocyanate
SMILESCSC#N
InChIInChI=1S/C2H3NS/c1-4-2-3/h1H3
InChIKeyVYHVQEYOFIYNJP-UHFFFAOYSA-N
MW73.12 g/mol
LogP0.83
Rot. Bonds

About methyl thiocyanate

methyl thiocyanate (PubChem CID 11168) has the molecular formula C2H3NS and a molecular weight of 73.12 g/mol. Its IUPAC name is methyl thiocyanate.

Molecular Properties

Compound Namemethyl thiocyanate
PubChem CID11168
Molecular FormulaC2H3NS
Molecular Weight73.12 g/mol
Exact Mass73.00
IUPAC Namemethyl thiocyanate
SMILESCSC#N
InChIInChI=1S/C2H3NS/c1-4-2-3/h1H3
InChIKeyVYHVQEYOFIYNJP-UHFFFAOYSA-N
XLogP0.83
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.12
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 methyl thiocyanate?
The IUPAC name of methyl thiocyanate (CID 11168) is methyl thiocyanate.
What is the SMILES notation for methyl thiocyanate?
The canonical SMILES for methyl thiocyanate is CSC#N.
What is the InChIKey of methyl thiocyanate?
The InChIKey is VYHVQEYOFIYNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NS/c1-4-2-3/h1H3.
What are the key properties of methyl thiocyanate?
methyl thiocyanate has a molecular weight of 73.12 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiocyanate is sourced from PubChem (CID 11168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).