5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide

C15H15BrN2S — CID 114893614

IUPAC5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1cc(C)ccc1C
InChIInChI=1S/C15H15BrN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(16)8-12(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyYRTCFSRTHYHJFA-UHFFFAOYSA-N
MW335.27 g/mol
LogP4.50
Rot. Bonds3

About 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide

5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (PubChem CID 114893614) has the molecular formula C15H15BrN2S and a molecular weight of 335.27 g/mol. Its IUPAC name is 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.

Molecular Properties

Compound Name5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
PubChem CID114893614
Molecular FormulaC15H15BrN2S
Molecular Weight335.27 g/mol
Exact Mass334.01
IUPAC Name5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(Br)ccc1Sc1cc(C)ccc1C
InChIInChI=1S/C15H15BrN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(16)8-12(13)15(17)18/h3-8H,1-2H3,(H3,17,18)
InChIKeyYRTCFSRTHYHJFA-UHFFFAOYSA-N
XLogP4.50
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.27
LogP ≤ 54.50
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

5-bromo-2-(4-methylphenyl)sulfanylbenzenecarboximidamide
CID 114893594
4-chloro-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63093373
3-chloro-4-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide
CID 63087256
5-bromo-2-(4-propan-2-ylphenyl)sulfanylbenzenecarboximidamide
CID 114893597
5-bromo-2-(1,3-oxazol-2-ylsulfanyl)benzenecarboximidamide
CID 106922788
5-bromo-2-(2-methoxyethylsulfanyl)benzenecarboximidamide
CID 114893629
2-(2-fluorophenyl)sulfanyl-4-methylbenzenecarboximidamide
CID 62306806
5-bromo-2-(3-methoxypropylsulfanyl)benzenecarboximidamide
CID 114893666
5-bromo-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]benzenecarboximidamide
CID 114893602
2-tert-butylsulfanyl-4-methylbenzenecarboximidamide
CID 62306992
2-bromo-3-fluoro-4-(3-methylphenyl)sulfanylbenzenecarboximidamide
CID 107537084
5-bromo-2-(2-methyl-5-propan-2-ylphenoxy)benzenecarboximidamide
CID 114893289

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The IUPAC name of 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide (CID 114893614) is 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide.
What is the SMILES notation for 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The canonical SMILES for 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is [H]/N=C(\N)c1cc(Br)ccc1Sc1cc(C)ccc1C.
What is the InChIKey of 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
The InChIKey is YRTCFSRTHYHJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2S/c1-9-3-4-10(2)14(7-9)19-13-6-5-11(16)8-12(13)15(17)18/h3-8H,1-2H3,(H3,17,18).
What are the key properties of 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide?
5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide has a molecular weight of 335.27 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,5-dimethylphenyl)sulfanylbenzenecarboximidamide is sourced from PubChem (CID 114893614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).