2-bromo-6-methylsulfanylbenzenecarboximidamide

C8H9BrN2S — CID 114884401

IUPAC2-bromo-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SC
InChIInChI=1S/C8H9BrN2S/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyOODOJDHPZSDNPI-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.46
Rot. Bonds2

About 2-bromo-6-methylsulfanylbenzenecarboximidamide

2-bromo-6-methylsulfanylbenzenecarboximidamide (PubChem CID 114884401) has the molecular formula C8H9BrN2S and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-bromo-6-methylsulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-methylsulfanylbenzenecarboximidamide
PubChem CID114884401
Molecular FormulaC8H9BrN2S
Molecular Weight245.15 g/mol
Exact Mass243.97
IUPAC Name2-bromo-6-methylsulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1c(Br)cccc1SC
InChIInChI=1S/C8H9BrN2S/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H3,10,11)
InChIKeyOODOJDHPZSDNPI-UHFFFAOYSA-N
XLogP2.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.46
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-bromo-6-(2-methylbutylsulfanyl)benzenecarboximidamide
CID 107750121
2-bromo-6-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114884393
2-amino-6-bromobenzenecarboximidamide
CID 114883758
2-(2-bromophenyl)sulfanyl-6-fluorobenzenecarboximidamide
CID 79522375
2-bromo-6-[(4-chlorophenyl)methylsulfanyl]benzenecarboximidamide
CID 114884449
2-(5-bromo-2-methylphenoxy)-6-methylsulfanylbenzenecarboximidamide
CID 107284685
2-bromo-6-[(3-ethyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 114884443
2-bromo-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]benzenecarboximidamide
CID 136931735
2-[ethyl(2-methylpropyl)amino]-6-methylsulfanylbenzenecarboximidamide
CID 113385837
2-methylsulfanyl-6-(4-propan-2-ylpiperidin-1-yl)benzenecarboximidamide
CID 103496268
2-[2-(2-methoxyethoxy)ethoxy]-6-methylsulfanylbenzenecarboximidamide
CID 104562371

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-methylsulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-6-methylsulfanylbenzenecarboximidamide (CID 114884401) is 2-bromo-6-methylsulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-methylsulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-methylsulfanylbenzenecarboximidamide is [H]/N=C(\N)c1c(Br)cccc1SC.
What is the InChIKey of 2-bromo-6-methylsulfanylbenzenecarboximidamide?
The InChIKey is OODOJDHPZSDNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2S/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H3,10,11).
What are the key properties of 2-bromo-6-methylsulfanylbenzenecarboximidamide?
2-bromo-6-methylsulfanylbenzenecarboximidamide has a molecular weight of 245.15 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-methylsulfanylbenzenecarboximidamide is sourced from PubChem (CID 114884401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).