4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline

C11H10ClNOS — CID 107779579

IUPAC4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline
SMILESCc1occc1Sc1cc(Cl)ccc1N
InChIInChI=1S/C11H10ClNOS/c1-7-10(4-5-14-7)15-11-6-8(12)2-3-9(11)13/h2-6H,13H2,1H3
InChIKeyVXJWJJBLCJUJRB-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.97
Rot. Bonds2

About 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline

4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline (PubChem CID 107779579) has the molecular formula C11H10ClNOS and a molecular weight of 239.73 g/mol. Its IUPAC name is 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline.

Molecular Properties

Compound Name4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline
PubChem CID107779579
Molecular FormulaC11H10ClNOS
Molecular Weight239.73 g/mol
Exact Mass239.02
IUPAC Name4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline
SMILESCc1occc1Sc1cc(Cl)ccc1N
InChIInChI=1S/C11H10ClNOS/c1-7-10(4-5-14-7)15-11-6-8(12)2-3-9(11)13/h2-6H,13H2,1H3
InChIKeyVXJWJJBLCJUJRB-UHFFFAOYSA-N
XLogP3.97
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline?
The IUPAC name of 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline (CID 107779579) is 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline.
What is the SMILES notation for 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline?
The canonical SMILES for 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline is Cc1occc1Sc1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline?
The InChIKey is VXJWJJBLCJUJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNOS/c1-7-10(4-5-14-7)15-11-6-8(12)2-3-9(11)13/h2-6H,13H2,1H3.
What are the key properties of 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline?
4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline has a molecular weight of 239.73 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methylfuran-3-yl)sulfanylaniline is sourced from PubChem (CID 107779579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).