2-chloro-6-ethylsulfanylbenzenecarboximidamide

C9H11ClN2S — CID 62495699

IUPAC2-chloro-6-ethylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1SCC
InChIInChI=1S/C9H11ClN2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H3,11,12)
InChIKeyJPTWUCDLYBCVLD-UHFFFAOYSA-N
MW214.72 g/mol
LogP2.74
Rot. Bonds3

About 2-chloro-6-ethylsulfanylbenzenecarboximidamide

2-chloro-6-ethylsulfanylbenzenecarboximidamide (PubChem CID 62495699) has the molecular formula C9H11ClN2S and a molecular weight of 214.72 g/mol. Its IUPAC name is 2-chloro-6-ethylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-6-ethylsulfanylbenzenecarboximidamide
PubChem CID62495699
Molecular FormulaC9H11ClN2S
Molecular Weight214.72 g/mol
Exact Mass214.03
IUPAC Name2-chloro-6-ethylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Cl)cccc1SCC
InChIInChI=1S/C9H11ClN2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H3,11,12)
InChIKeyJPTWUCDLYBCVLD-UHFFFAOYSA-N
XLogP2.74
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.72
LogP ≤ 52.74
H-Bond Donors ≤ 52
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-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-chloro-6-ethylsulfanyl-N'-hydroxybenzenecarboximidamide
CID 76945000
2-(tert-butylamino)-6-ethylsulfanylbenzenecarboximidamide
CID 113385854
2-(3,4-dihydroxypyrrolidin-1-yl)-6-ethylsulfanylbenzenecarboximidamide
CID 106669765
2-chloro-6-(diethylamino)benzenecarboximidamide
CID 62502596
2-chloro-6-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 62495530
2-ethylsulfanyl-6-(2-methoxypropylamino)benzenecarboximidamide
CID 102698438
2-chloro-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]benzenecarboximidamide
CID 55079053
2-chloro-6-[1-hydroxypropan-2-yl(methyl)amino]benzenecarboximidamide
CID 104552204
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-chloro-6-pyridin-2-ylsulfanylbenzenecarboximidamide
CID 62496202

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-chloro-6-ethylsulfanylbenzenecarboximidamide (CID 62495699) is 2-chloro-6-ethylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-chloro-6-ethylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-chloro-6-ethylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Cl)cccc1SCC.
What is the InChIKey of 2-chloro-6-ethylsulfanylbenzenecarboximidamide?
The InChIKey is JPTWUCDLYBCVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H3,11,12).
What are the key properties of 2-chloro-6-ethylsulfanylbenzenecarboximidamide?
2-chloro-6-ethylsulfanylbenzenecarboximidamide has a molecular weight of 214.72 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 62495699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).