2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide

C13H10Br2N2S — CID 107279964

IUPAC2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H10Br2N2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17)
InChIKeyHUHQPTACRKWFDL-UHFFFAOYSA-N
MW386.11 g/mol
LogP4.65
Rot. Bonds3

About 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide

2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide (PubChem CID 107279964) has the molecular formula C13H10Br2N2S and a molecular weight of 386.11 g/mol. Its IUPAC name is 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
PubChem CID107279964
Molecular FormulaC13H10Br2N2S
Molecular Weight386.11 g/mol
Exact Mass383.89
IUPAC Name2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Br
InChIInChI=1S/C13H10Br2N2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17)
InChIKeyHUHQPTACRKWFDL-UHFFFAOYSA-N
XLogP4.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 54.65
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

4-(3-bromophenyl)sulfanyl-2-chlorobenzenecarboximidamide
CID 55152641
2-bromo-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)benzenecarboximidamide
CID 107279997
2-(3-bromophenyl)sulfanyl-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79875521
2-bromo-4-propylsulfanylbenzenecarboximidamide
CID 107279933
3-(3-bromophenyl)sulfanyl-5,6-dimethylpyridazine-4-carboximidamide
CID 62804242
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
2-(3-bromophenyl)benzenecarboximidamide
CID 6344753
4-bromo-2-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 114905157
5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
4-bromo-2-(4-methylsulfonylphenyl)sulfanylbenzenecarboximidamide
CID 114905215
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide (CID 107279964) is 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(Sc2cccc(Br)c2)cc1Br.
What is the InChIKey of 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide?
The InChIKey is HUHQPTACRKWFDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2S/c14-8-2-1-3-9(6-8)18-10-4-5-11(13(16)17)12(15)7-10/h1-7H,(H3,16,17).
What are the key properties of 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide?
2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide has a molecular weight of 386.11 g/mol, XLogP of 4.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(3-bromophenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 107279964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).