cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide

C6H11N3S — CID 134716120

IUPACcyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide
SMILESCCS(C)(C)N(C#N)C#N
InChIInChI=1S/C6H11N3S/c1-4-10(2,3)9(5-7)6-8/h4H2,1-3H3
InChIKeyWRNGZLNBUAMJCA-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.25
Rot. Bonds2

About cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide

cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide (PubChem CID 134716120) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide.

Molecular Properties

Compound Namecyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide
PubChem CID134716120
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Namecyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide
SMILESCCS(C)(C)N(C#N)C#N
InChIInChI=1S/C6H11N3S/c1-4-10(2,3)9(5-7)6-8/h4H2,1-3H3
InChIKeyWRNGZLNBUAMJCA-UHFFFAOYSA-N
XLogP1.25
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide?
The IUPAC name of cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide (CID 134716120) is cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide.
What is the SMILES notation for cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide?
The canonical SMILES for cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide is CCS(C)(C)N(C#N)C#N.
What is the InChIKey of cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide?
The InChIKey is WRNGZLNBUAMJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-4-10(2,3)9(5-7)6-8/h4H2,1-3H3.
What are the key properties of cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide?
cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide has a molecular weight of 157.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyano-[ethyl(dimethyl)-λ4-sulfanyl]cyanamide is sourced from PubChem (CID 134716120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).