2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide

C8H8BrFN2S — CID 107537083

IUPAC2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)c(F)c1Br
InChIInChI=1S/C8H8BrFN2S/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12)
InChIKeyOOQVZPHBYKBNJC-UHFFFAOYSA-N
MW263.13 g/mol
LogP2.59
Rot. Bonds2

About 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide

2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide (PubChem CID 107537083) has the molecular formula C8H8BrFN2S and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
PubChem CID107537083
Molecular FormulaC8H8BrFN2S
Molecular Weight263.13 g/mol
Exact Mass261.96
IUPAC Name2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)c(F)c1Br
InChIInChI=1S/C8H8BrFN2S/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12)
InChIKeyOOQVZPHBYKBNJC-UHFFFAOYSA-N
XLogP2.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 52.59
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-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
2-bromo-3-fluoro-4-(2-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 107537085
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
2-bromo-4-(2,5-dichlorophenyl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537045
2-bromo-3-fluoro-4-[(3-methylphenyl)methylsulfanyl]benzenecarboximidamide
CID 107537096
2-bromo-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-3-fluorobenzenecarboximidamide
CID 107537092
2-bromo-4-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]-3-fluorobenzenecarboximidamide
CID 107537123
2-bromo-3-fluoro-4-(4-methylsulfanylphenoxy)benzenecarboximidamide
CID 107536782
2-bromo-3-fluoro-4-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide
CID 107537067
2-bromo-3-fluoro-4-(3-methylbutoxy)benzenecarboximidamide
CID 107536685
2-bromo-3-fluoro-4-(2-methoxyphenoxy)benzenecarboximidamide
CID 107536667
2-bromo-4-[cyclopropylmethyl(methyl)amino]-3-fluorobenzenecarboximidamide
CID 107536349

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide (CID 107537083) is 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(SC)c(F)c1Br.
What is the InChIKey of 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide?
The InChIKey is OOQVZPHBYKBNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2S/c1-13-5-3-2-4(8(11)12)6(9)7(5)10/h2-3H,1H3,(H3,11,12).
What are the key properties of 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide?
2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide has a molecular weight of 263.13 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-fluoro-4-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 107537083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).