hydron;methyl thiocyanate

C2H4NS+ — CID 174813851

IUPAChydron;methyl thiocyanate
SMILESCSC#N.[H+]
InChIInChI=1S/C2H3NS/c1-4-2-3/h1H3/p+1
InChIKeyVYHVQEYOFIYNJP-UHFFFAOYSA-O
MW74.13 g/mol
LogP0.94
Rot. Bonds

About hydron;methyl thiocyanate

hydron;methyl thiocyanate (PubChem CID 174813851) has the molecular formula C2H4NS+ and a molecular weight of 74.13 g/mol. Its IUPAC name is hydron;methyl thiocyanate.

Molecular Properties

Compound Namehydron;methyl thiocyanate
PubChem CID174813851
Molecular FormulaC2H4NS+
Molecular Weight74.13 g/mol
Exact Mass74.01
IUPAC Namehydron;methyl thiocyanate
SMILESCSC#N.[H+]
InChIInChI=1S/C2H3NS/c1-4-2-3/h1H3/p+1
InChIKeyVYHVQEYOFIYNJP-UHFFFAOYSA-O
XLogP0.94
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50074.13
LogP ≤ 50.94
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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Related Compounds

methyl thiocyanate
CID 11168
sodium;hydride;methyl thiocyanate
CID 173405652
acetonitrile;hydron
CID 22154984
silver cyano thiocyanate
CID 161081862
potassium;acetonitrile;hydride;hydron
CID 174894698
CID 100998907
CID 100998907
2-thiocyanatopropan-2-yl thiocyanate
CID 19049770
2,2-bis(methylsulfanyl)propanedinitrile
CID 14508499
methyl(methylsulfanyl)cyanamide
CID 141410976
(2,3-dimethyl-3-thiocyanatobutan-2-yl) thiocyanate
CID 15633172
acetonitrile;triacontahydrate
CID 141398921
hydron;bis(2-methylpropanenitrile)
CID 174938927

Frequently Asked Questions

What is the IUPAC name of hydron;methyl thiocyanate?
The IUPAC name of hydron;methyl thiocyanate (CID 174813851) is hydron;methyl thiocyanate.
What is the SMILES notation for hydron;methyl thiocyanate?
The canonical SMILES for hydron;methyl thiocyanate is CSC#N.[H+].
What is the InChIKey of hydron;methyl thiocyanate?
The InChIKey is VYHVQEYOFIYNJP-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H3NS/c1-4-2-3/h1H3/p+1.
What are the key properties of hydron;methyl thiocyanate?
hydron;methyl thiocyanate has a molecular weight of 74.13 g/mol, XLogP of 0.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;methyl thiocyanate is sourced from PubChem (CID 174813851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).