4-chloro-2-(furan-2-ylmethylsulfanyl)aniline

C11H10ClNOS — CID 79528052

IUPAC4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
SMILESNc1ccc(Cl)cc1SCc1ccco1
InChIInChI=1S/C11H10ClNOS/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h1-6H,7,13H2
InChIKeyORGASLUMHNOQON-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.81
Rot. Bonds3

About 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline

4-chloro-2-(furan-2-ylmethylsulfanyl)aniline (PubChem CID 79528052) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
PubChem CID79528052
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-chloro-2-(furan-2-ylmethylsulfanyl)aniline
SMILESNc1ccc(Cl)cc1SCc1ccco1
InChIInChI=1S/C11H10ClNOS/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h1-6H,7,13H2
InChIKeyORGASLUMHNOQON-UHFFFAOYSA-N
XLogP3.81
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.81
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

1-[4-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114866129
4-amino-3-(furan-2-ylmethylsulfanyl)benzenesulfonamide
CID 82900112
1-[5-chloro-2-(furan-2-ylmethylsulfanyl)phenyl]butan-2-amine
CID 114866131
6-(furan-2-ylmethylsulfanyl)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 28979199
methyl 4-amino-3-(furan-2-ylmethylsulfanyl)benzoate
CID 82796512
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
2-[(4-bromothiophen-2-yl)methylsulfanyl]-4-chloroaniline
CID 79527886
2-[(3-bromophenyl)methylsulfanyl]-4-chloroaniline
CID 79527806
2-(2-amino-5-chlorophenyl)sulfanyl-N-[1-(furan-2-yl)ethyl]acetamide
CID 79527977
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
4-chloro-2-(quinolin-4-ylmethylsulfanyl)aniline
CID 79529000
4-chloro-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]aniline
CID 79527782

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline?
The IUPAC name of 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline (CID 79528052) is 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline.
What is the SMILES notation for 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline?
The canonical SMILES for 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline is Nc1ccc(Cl)cc1SCc1ccco1.
What is the InChIKey of 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline?
The InChIKey is ORGASLUMHNOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c12-8-3-4-10(13)11(6-8)15-7-9-2-1-5-14-9/h1-6H,7,13H2.
What are the key properties of 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline?
4-chloro-2-(furan-2-ylmethylsulfanyl)aniline has a molecular weight of 239.73 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(furan-2-ylmethylsulfanyl)aniline is sourced from PubChem (CID 79528052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).