4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide

C11H16N2O2S — CID 61300789

IUPAC4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCSCCO)cc1
InChIInChI=1S/C11H16N2O2S/c12-11(13)9-1-3-10(4-2-9)15-6-8-16-7-5-14/h1-4,14H,5-8H2,(H3,12,13)
InChIKeyFNVYJMYTOTZBQM-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.07
Rot. Bonds7

About 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide

4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide (PubChem CID 61300789) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide
PubChem CID61300789
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCSCCO)cc1
InChIInChI=1S/C11H16N2O2S/c12-11(13)9-1-3-10(4-2-9)15-6-8-16-7-5-14/h1-4,14H,5-8H2,(H3,12,13)
InChIKeyFNVYJMYTOTZBQM-UHFFFAOYSA-N
XLogP1.07
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;hydrochloride
CID 44573593
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;dihydrochloride
CID 10431865
4-[8-(4-carbamimidoylphenoxy)octoxy]benzenecarboximidamide;methane
CID 158584747
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;platinum(2+);diiodide
CID 10056078
4-butoxybenzenecarboximidamide
CID 3015454
4-[10-[4-(2-hydroxyethyl)phenoxy]decoxy]benzenecarboximidamide
CID 142589404
4-[2-[bis[2-(4-carbamimidoylphenoxy)ethyl]amino]ethoxy]benzenecarboximidamide
CID 139715205
4-[5-(4-methylphenoxy)pentoxy]benzenecarboximidamide
CID 143436452
[amino-[4-[5-(4-carbamimidoylphenoxy)pentoxy]phenyl]methylidene]azanium
CID 24848374
4-octoxybenzenecarboximidamide
CID 3302492
4-[2-(1,3-thiazol-2-ylsulfanyl)ethoxy]benzenecarboximidamide
CID 61300986
4-[2-(dimethylamino)ethoxy]benzenecarboximidamide;hydrochloride
CID 82240588

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide (CID 61300789) is 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCSCCO)cc1.
What is the InChIKey of 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide?
The InChIKey is FNVYJMYTOTZBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c12-11(13)9-1-3-10(4-2-9)15-6-8-16-7-5-14/h1-4,14H,5-8H2,(H3,12,13).
What are the key properties of 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide?
4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide has a molecular weight of 240.33 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethylsulfanyl)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 61300789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).