2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine

C18H30N4S — CID 174190800

IUPAC2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine
SMILESCCCCCCCCCSc1ccc(CC=NN=C(N)N)cc1
InChIInChI=1S/C18H30N4S/c1-2-3-4-5-6-7-8-15-23-17-11-9-16(10-12-17)13-14-21-22-18(19)20/h9-12,14H,2-8,13,15H2,1H3,(H4,19,20,22)
InChIKeyRIQZJTCWSKUWIX-UHFFFAOYSA-N
MW334.53 g/mol
LogP4.33
Rot. Bonds12

About 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine

2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine (PubChem CID 174190800) has the molecular formula C18H30N4S and a molecular weight of 334.53 g/mol. Its IUPAC name is 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine
PubChem CID174190800
Molecular FormulaC18H30N4S
Molecular Weight334.53 g/mol
Exact Mass334.22
IUPAC Name2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine
SMILESCCCCCCCCCSc1ccc(CC=NN=C(N)N)cc1
InChIInChI=1S/C18H30N4S/c1-2-3-4-5-6-7-8-15-23-17-11-9-16(10-12-17)13-14-21-22-18(19)20/h9-12,14H,2-8,13,15H2,1H3,(H4,19,20,22)
InChIKeyRIQZJTCWSKUWIX-UHFFFAOYSA-N
XLogP4.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine (CID 174190800) is 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine is CCCCCCCCCSc1ccc(CC=NN=C(N)N)cc1.
What is the InChIKey of 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine?
The InChIKey is RIQZJTCWSKUWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4S/c1-2-3-4-5-6-7-8-15-23-17-11-9-16(10-12-17)13-14-21-22-18(19)20/h9-12,14H,2-8,13,15H2,1H3,(H4,19,20,22).
What are the key properties of 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine?
2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine has a molecular weight of 334.53 g/mol, XLogP of 4.33, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-nonylsulfanylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 174190800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).