2-bromo-6-ethylsulfanylbenzenecarboximidamide

C9H11BrN2S — CID 114884380

IUPAC2-bromo-6-ethylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCC
InChIInChI=1S/C9H11BrN2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H3,11,12)
InChIKeyWHDPFUWBPVTKEK-UHFFFAOYSA-N
MW259.17 g/mol
LogP2.85
Rot. Bonds3

About 2-bromo-6-ethylsulfanylbenzenecarboximidamide

2-bromo-6-ethylsulfanylbenzenecarboximidamide (PubChem CID 114884380) has the molecular formula C9H11BrN2S and a molecular weight of 259.17 g/mol. Its IUPAC name is 2-bromo-6-ethylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-ethylsulfanylbenzenecarboximidamide
PubChem CID114884380
Molecular FormulaC9H11BrN2S
Molecular Weight259.17 g/mol
Exact Mass257.98
IUPAC Name2-bromo-6-ethylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCC
InChIInChI=1S/C9H11BrN2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H3,11,12)
InChIKeyWHDPFUWBPVTKEK-UHFFFAOYSA-N
XLogP2.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 52.85
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-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393
2-chloro-6-ethylsulfanylbenzenecarboximidamide
CID 62495699
2-ethylsulfanyl-6-(2-methylpropylsulfanyl)benzenecarboximidamide
CID 113385931
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449
2-(tert-butylamino)-6-ethylsulfanylbenzenecarboximidamide
CID 113385854
2-(3,4-dihydroxypyrrolidin-1-yl)-6-ethylsulfanylbenzenecarboximidamide
CID 106669765
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-ethylsulfanyl-6-(2-methoxypropylamino)benzenecarboximidamide
CID 102698438
2-bromo-6-(4-butan-2-ylphenoxy)benzenecarboximidamide
CID 107665095

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-ethylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-6-ethylsulfanylbenzenecarboximidamide (CID 114884380) is 2-bromo-6-ethylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-ethylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-ethylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1SCC.
What is the InChIKey of 2-bromo-6-ethylsulfanylbenzenecarboximidamide?
The InChIKey is WHDPFUWBPVTKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2S/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-bromo-6-ethylsulfanylbenzenecarboximidamide?
2-bromo-6-ethylsulfanylbenzenecarboximidamide has a molecular weight of 259.17 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-ethylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 114884380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).