methylsulfanylformonitrile oxide

C2H3NOS — CID 141229017

IUPACmethylsulfanylformonitrile oxide
SMILESCSC#[N+][O-]
InChIInChI=1S/C2H3NOS/c1-5-2-3-4/h1H3
InChIKeyZGBNNBYUVZYHKH-UHFFFAOYSA-N
MW89.12 g/mol
LogP1.14
Rot. Bonds

About methylsulfanylformonitrile oxide

methylsulfanylformonitrile oxide (PubChem CID 141229017) has the molecular formula C2H3NOS and a molecular weight of 89.12 g/mol. Its IUPAC name is methylsulfanylformonitrile oxide.

Molecular Properties

Compound Namemethylsulfanylformonitrile oxide
PubChem CID141229017
Molecular FormulaC2H3NOS
Molecular Weight89.12 g/mol
Exact Mass88.99
IUPAC Namemethylsulfanylformonitrile oxide
SMILESCSC#[N+][O-]
InChIInChI=1S/C2H3NOS/c1-5-2-3-4/h1H3
InChIKeyZGBNNBYUVZYHKH-UHFFFAOYSA-N
XLogP1.14
TPSA27.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50089.12
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl thiocyanate
CID 11168
CID 100998907
CID 100998907
hydron;methyl thiocyanate
CID 174813851
sodium;hydride;methyl thiocyanate
CID 173405652
CID 20609890
CID 20609890
germanium(4+);methylsulfanylmethane
CID 91868427
CID 87126184
CID 87126184
methanedithione;(methyldisulfanyl)methane
CID 174936185
formaldehyde;N-methylmethanamine;methylsulfanylmethane
CID 144523828
sodium methylsulfanyl sulfate
CID 87172296
CID 57417658
CID 57417658
(methyldisulfanyl)methane;nickel
CID 159414601

Frequently Asked Questions

What is the IUPAC name of methylsulfanylformonitrile oxide?
The IUPAC name of methylsulfanylformonitrile oxide (CID 141229017) is methylsulfanylformonitrile oxide.
What is the SMILES notation for methylsulfanylformonitrile oxide?
The canonical SMILES for methylsulfanylformonitrile oxide is CSC#[N+][O-].
What is the InChIKey of methylsulfanylformonitrile oxide?
The InChIKey is ZGBNNBYUVZYHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3NOS/c1-5-2-3-4/h1H3.
What are the key properties of methylsulfanylformonitrile oxide?
methylsulfanylformonitrile oxide has a molecular weight of 89.12 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanylformonitrile oxide is sourced from PubChem (CID 141229017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).