5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline

C11H9Br2NOS — CID 43306013

IUPAC5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline
SMILESNc1cc(Br)ccc1SCc1ccc(Br)o1
InChIInChI=1S/C11H9Br2NOS/c12-7-1-3-10(9(14)5-7)16-6-8-2-4-11(13)15-8/h1-5H,6,14H2
InChIKeyIKULQEIKAQZPQW-UHFFFAOYSA-N
MW363.07 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline

5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline (PubChem CID 43306013) has the molecular formula C11H9Br2NOS and a molecular weight of 363.07 g/mol. Its IUPAC name is 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline.

Molecular Properties

Compound Name5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline
PubChem CID43306013
Molecular FormulaC11H9Br2NOS
Molecular Weight363.07 g/mol
Exact Mass360.88
IUPAC Name5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline
SMILESNc1cc(Br)ccc1SCc1ccc(Br)o1
InChIInChI=1S/C11H9Br2NOS/c12-7-1-3-10(9(14)5-7)16-6-8-2-4-11(13)15-8/h1-5H,6,14H2
InChIKeyIKULQEIKAQZPQW-UHFFFAOYSA-N
XLogP4.68
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.07
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[(5-bromofuran-2-yl)methylsulfanyl]-5-chloroaniline
CID 43251085
5-bromo-2-(3-chloropropylsulfanyl)aniline
CID 22735760
5-bromo-2-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]aniline
CID 43305660
5-bromo-2-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]aniline
CID 43305737
5-bromo-2-(3-chloropropylsulfanyl)aniline;hydrochloride
CID 69183094
5-bromo-2-[(4-nitrophenyl)methylsulfanyl]aniline
CID 43305920
5-bromo-2-(methoxymethylsulfanyl)aniline
CID 65364514
5-bromo-2-prop-2-ynylsulfanylaniline
CID 43306186
4-[(5-bromofuran-2-yl)methylsulfanyl]naphthalen-1-ol
CID 112596130
5-bromo-2-(2,3-dichloroprop-2-enylsulfanyl)aniline
CID 79172954
5-bromo-2-octylsulfanylaniline
CID 43306029
5-bromo-2-decylsulfanylaniline
CID 55222801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline?
The IUPAC name of 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline (CID 43306013) is 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline.
What is the SMILES notation for 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline?
The canonical SMILES for 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline is Nc1cc(Br)ccc1SCc1ccc(Br)o1.
What is the InChIKey of 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline?
The InChIKey is IKULQEIKAQZPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2NOS/c12-7-1-3-10(9(14)5-7)16-6-8-2-4-11(13)15-8/h1-5H,6,14H2.
What are the key properties of 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline?
5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline has a molecular weight of 363.07 g/mol, XLogP of 4.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5-bromofuran-2-yl)methylsulfanyl]aniline is sourced from PubChem (CID 43306013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).