2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide

C10H13ClN2S — CID 66153535

IUPAC2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
SMILESCC/N=C(\N)CSc1ccccc1Cl
InChIInChI=1S/C10H13ClN2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyMRUKXPAXZWFZKE-UHFFFAOYSA-N
MW228.75 g/mol
LogP2.81
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide

2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide (PubChem CID 66153535) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
PubChem CID66153535
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide
SMILESCC/N=C(\N)CSc1ccccc1Cl
InChIInChI=1S/C10H13ClN2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13)
InChIKeyMRUKXPAXZWFZKE-UHFFFAOYSA-N
XLogP2.81
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 52.81
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

N'-amino-2-(2-chlorophenyl)sulfanylethanimidamide
CID 77113318
2-(2,3-dichlorophenyl)sulfanyl-N'-hydroxyethanimidamide
CID 57086054
ethyl 5-(2-chlorophenyl)sulfanyl-4-oxopentanoate
CID 66323392
4-(2-chlorophenyl)sulfanyl-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062349
(2S)-1-(2-chlorophenyl)sulfanylbutan-2-amine
CID 104932240
1-(2-chlorophenyl)sulfanylheptan-2-one
CID 66139360
N-butan-2-yl-2-(2-chlorophenyl)sulfanylacetamide
CID 60624641
1-(2-chlorophenyl)sulfanyl-4-methylpent-3-en-2-one
CID 79190154
1-(2-chlorophenyl)sulfanyl-3-methoxypropan-2-one
CID 79566355
2-[(2-chlorophenyl)sulfanylmethyl]prop-2-ene-1-thiol
CID 103074125
N-[(2S)-1-aminopropan-2-yl]-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 120507413
2-(2-chlorophenyl)sulfanyl-N,N-dimethylethanimidamide
CID 66153924

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide (CID 66153535) is 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide is CC/N=C(\N)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide?
The InChIKey is MRUKXPAXZWFZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c1-2-13-10(12)7-14-9-6-4-3-5-8(9)11/h3-6H,2,7H2,1H3,(H2,12,13).
What are the key properties of 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide?
2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide has a molecular weight of 228.75 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-N'-ethylethanimidamide is sourced from PubChem (CID 66153535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).