1-cyano-2-(4-sulfanylidenebutyl)guanidine

C6H10N4S — CID 22712754

IUPAC1-cyano-2-(4-sulfanylidenebutyl)guanidine
SMILESN#CN/C(N)=N/CCCC=S
InChIInChI=1S/C6H10N4S/c7-5-10-6(8)9-3-1-2-4-11/h4H,1-3H2,(H3,8,9,10)
InChIKeyAYWYPTHLUXERMM-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.15
Rot. Bonds4

About 1-cyano-2-(4-sulfanylidenebutyl)guanidine

1-cyano-2-(4-sulfanylidenebutyl)guanidine (PubChem CID 22712754) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-cyano-2-(4-sulfanylidenebutyl)guanidine.

Molecular Properties

Compound Name1-cyano-2-(4-sulfanylidenebutyl)guanidine
PubChem CID22712754
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-cyano-2-(4-sulfanylidenebutyl)guanidine
SMILESN#CN/C(N)=N/CCCC=S
InChIInChI=1S/C6H10N4S/c7-5-10-6(8)9-3-1-2-4-11/h4H,1-3H2,(H3,8,9,10)
InChIKeyAYWYPTHLUXERMM-UHFFFAOYSA-N
XLogP0.15
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-(4-sulfanylidenebutyl)guanidine?
The IUPAC name of 1-cyano-2-(4-sulfanylidenebutyl)guanidine (CID 22712754) is 1-cyano-2-(4-sulfanylidenebutyl)guanidine.
What is the SMILES notation for 1-cyano-2-(4-sulfanylidenebutyl)guanidine?
The canonical SMILES for 1-cyano-2-(4-sulfanylidenebutyl)guanidine is N#CN/C(N)=N/CCCC=S.
What is the InChIKey of 1-cyano-2-(4-sulfanylidenebutyl)guanidine?
The InChIKey is AYWYPTHLUXERMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c7-5-10-6(8)9-3-1-2-4-11/h4H,1-3H2,(H3,8,9,10).
What are the key properties of 1-cyano-2-(4-sulfanylidenebutyl)guanidine?
1-cyano-2-(4-sulfanylidenebutyl)guanidine has a molecular weight of 170.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-(4-sulfanylidenebutyl)guanidine is sourced from PubChem (CID 22712754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).