2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide

C11H15ClN2S — CID 66144205

IUPAC2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
SMILESCCC/N=C(\N)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyFMJJVKONOBUOGX-UHFFFAOYSA-N
MW242.78 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide

2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide (PubChem CID 66144205) has the molecular formula C11H15ClN2S and a molecular weight of 242.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
PubChem CID66144205
Molecular FormulaC11H15ClN2S
Molecular Weight242.78 g/mol
Exact Mass242.06
IUPAC Name2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide
SMILESCCC/N=C(\N)CSc1ccc(Cl)cc1
InChIInChI=1S/C11H15ClN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14)
InChIKeyFMJJVKONOBUOGX-UHFFFAOYSA-N
XLogP3.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.78
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)sulfanyl-N'-propylethanimidamide
CID 66065534
N'-amino-2-(4-chlorophenyl)sulfanylethanimidamide
CID 66144390
N'-ethyl-2-(4-fluorophenyl)sulfanylethanimidamide
CID 66065533
1-(4-chlorophenyl)sulfanylpentan-2-one
CID 62041671
1-chloro-4-ethylsulfanylbenzene
CID 5324154
2-(4-chlorophenyl)sulfanyl-N-(heptan-4-ylideneamino)acetamide
CID 7241820
N'-amino-2-(4-methylphenyl)sulfanylethanimidamide
CID 77111884
4-(4-chlorophenyl)-N'-propylpiperazine-1-carboximidamide;hydroiodide
CID 110911931
1-[2-(4-chlorophenyl)ethyl]-2-propylguanidine
CID 62362687
2-(4-fluorophenyl)sulfanyl-N'-methylethanimidamide
CID 66065532
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
CID 66153535
1-(4-chlorophenyl)sulfanyl-N,N-dimethylmethanamine
CID 95562061

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide (CID 66144205) is 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide is CCC/N=C(\N)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide?
The InChIKey is FMJJVKONOBUOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S/c1-2-7-14-11(13)8-15-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3,(H2,13,14).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide?
2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide has a molecular weight of 242.78 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N'-propylethanimidamide is sourced from PubChem (CID 66144205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).