cyano thiocyanate cyanide

C3N3S- — CID 159271265

IUPACcyano thiocyanate cyanide
SMILESN#CSC#N.[C-]#N
InChIInChI=1S/C2N2S.CN/c3-1-5-2-4;1-2/q;-1
InChIKeyKXTCLLPFWOHZER-UHFFFAOYSA-N
MW110.12 g/mol
LogP0.78
Rot. Bonds

About cyano thiocyanate cyanide

cyano thiocyanate cyanide (PubChem CID 159271265) has the molecular formula C3N3S- and a molecular weight of 110.12 g/mol. Its IUPAC name is cyano thiocyanate cyanide.

Molecular Properties

Compound Namecyano thiocyanate cyanide
PubChem CID159271265
Molecular FormulaC3N3S-
Molecular Weight110.12 g/mol
Exact Mass109.98
IUPAC Namecyano thiocyanate cyanide
SMILESN#CSC#N.[C-]#N
InChIInChI=1S/C2N2S.CN/c3-1-5-2-4;1-2/q;-1
InChIKeyKXTCLLPFWOHZER-UHFFFAOYSA-N
XLogP0.78
TPSA71.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyano thiocyanate cyanide?
The IUPAC name of cyano thiocyanate cyanide (CID 159271265) is cyano thiocyanate cyanide.
What is the SMILES notation for cyano thiocyanate cyanide?
The canonical SMILES for cyano thiocyanate cyanide is N#CSC#N.[C-]#N.
What is the InChIKey of cyano thiocyanate cyanide?
The InChIKey is KXTCLLPFWOHZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C2N2S.CN/c3-1-5-2-4;1-2/q;-1.
What are the key properties of cyano thiocyanate cyanide?
cyano thiocyanate cyanide has a molecular weight of 110.12 g/mol, XLogP of 0.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyano thiocyanate cyanide is sourced from PubChem (CID 159271265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).