CID 118168702

CK2NS — CID 118168702

IUPAC—
SMILESN#C[S-].[K+].[K]
InChIInChI=1S/CHNS.2K/c2-1-3;;/h3H;;/q;;+1/p-1
InChIKeyMXFDVRSFCAQBRA-UHFFFAOYSA-M
MW136.28 g/mol
LogP-3.36
Rot. Bonds

About CID 118168702

CID 118168702 (PubChem CID 118168702) has the molecular formula CK2NS and a molecular weight of 136.28 g/mol.

Molecular Properties

Compound NameCID 118168702
PubChem CID118168702
Molecular FormulaCK2NS
Molecular Weight136.28 g/mol
Exact Mass135.90
IUPAC Name—
SMILESN#C[S-].[K+].[K]
InChIInChI=1S/CHNS.2K/c2-1-3;;/h3H;;/q;;+1/p-1
InChIKeyMXFDVRSFCAQBRA-UHFFFAOYSA-M
XLogP-3.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.28
LogP ≤ 5-3.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 118168702?
The IUPAC name of CID 118168702 (CID 118168702) is not available.
What is the SMILES notation for CID 118168702?
The canonical SMILES for CID 118168702 is N#C[S-].[K+].[K].
What is the InChIKey of CID 118168702?
The InChIKey is MXFDVRSFCAQBRA-UHFFFAOYSA-M. The full InChI is InChI=1S/CHNS.2K/c2-1-3;;/h3H;;/q;;+1/p-1.
What are the key properties of CID 118168702?
CID 118168702 has a molecular weight of 136.28 g/mol, XLogP of -3.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 118168702 is sourced from PubChem (CID 118168702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).