[cyano(thiocyanato)amino] cyanate

C3N4OS — CID 151836977

IUPAC[cyano(thiocyanato)amino] cyanate
SMILESN#CON(C#N)SC#N
InChIInChI=1S/C3N4OS/c4-1-7(8-2-5)9-3-6
InChIKeySFWARCRMWSTRBR-UHFFFAOYSA-N
MW140.13 g/mol
LogP0.31
Rot. Bonds2

About [cyano(thiocyanato)amino] cyanate

[cyano(thiocyanato)amino] cyanate (PubChem CID 151836977) has the molecular formula C3N4OS and a molecular weight of 140.13 g/mol. Its IUPAC name is [cyano(thiocyanato)amino] cyanate.

Molecular Properties

Compound Name[cyano(thiocyanato)amino] cyanate
PubChem CID151836977
Molecular FormulaC3N4OS
Molecular Weight140.13 g/mol
Exact Mass139.98
IUPAC Name[cyano(thiocyanato)amino] cyanate
SMILESN#CON(C#N)SC#N
InChIInChI=1S/C3N4OS/c4-1-7(8-2-5)9-3-6
InChIKeySFWARCRMWSTRBR-UHFFFAOYSA-N
XLogP0.31
TPSA83.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.13
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [cyano(thiocyanato)amino] cyanate?
The IUPAC name of [cyano(thiocyanato)amino] cyanate (CID 151836977) is [cyano(thiocyanato)amino] cyanate.
What is the SMILES notation for [cyano(thiocyanato)amino] cyanate?
The canonical SMILES for [cyano(thiocyanato)amino] cyanate is N#CON(C#N)SC#N.
What is the InChIKey of [cyano(thiocyanato)amino] cyanate?
The InChIKey is SFWARCRMWSTRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3N4OS/c4-1-7(8-2-5)9-3-6.
What are the key properties of [cyano(thiocyanato)amino] cyanate?
[cyano(thiocyanato)amino] cyanate has a molecular weight of 140.13 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [cyano(thiocyanato)amino] cyanate is sourced from PubChem (CID 151836977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).