2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide

C10H13BrN2OS — CID 114884393

IUPAC2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCCOC
InChIInChI=1S/C10H13BrN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyYSSRAZNMPPJFEJ-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.47
Rot. Bonds5

About 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide

2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide (PubChem CID 114884393) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
PubChem CID114884393
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SCCOC
InChIInChI=1S/C10H13BrN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13)
InChIKeyYSSRAZNMPPJFEJ-UHFFFAOYSA-N
XLogP2.47
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-fluoro-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 79522698
2-bromo-6-ethylsulfanylbenzenecarboximidamide
CID 114884380
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
2-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
3-(2-methoxyethylsulfanyl)-5,6-dimethylpyridazine-4-carboximidamide
CID 61090678
5-bromo-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
CID 114893666
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371
2-bromo-6-[3-(dimethylamino)propoxy]benzenecarboximidamide
CID 114884059

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The IUPAC name of 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide (CID 114884393) is 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The canonical SMILES for 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1SCCOC.
What is the InChIKey of 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
The InChIKey is YSSRAZNMPPJFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c1-14-5-6-15-8-4-2-3-7(11)9(8)10(12)13/h2-4H,5-6H2,1H3,(H3,12,13).
What are the key properties of 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide?
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide has a molecular weight of 289.20 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide is sourced from PubChem (CID 114884393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).