5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline

C10H10ClN3S — CID 15077495

IUPAC5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline
SMILESCn1ccnc1Sc1ccc(Cl)cc1N
InChIInChI=1S/C10H10ClN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3
InChIKeyWTYXISQJDIFDBJ-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.81
Rot. Bonds2

About 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline

5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline (PubChem CID 15077495) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline.

Molecular Properties

Compound Name5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline
PubChem CID15077495
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline
SMILESCn1ccnc1Sc1ccc(Cl)cc1N
InChIInChI=1S/C10H10ClN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3
InChIKeyWTYXISQJDIFDBJ-UHFFFAOYSA-N
XLogP2.81
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline?
The IUPAC name of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline (CID 15077495) is 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline.
What is the SMILES notation for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline?
The canonical SMILES for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline is Cn1ccnc1Sc1ccc(Cl)cc1N.
What is the InChIKey of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline?
The InChIKey is WTYXISQJDIFDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-14-5-4-13-10(14)15-9-3-2-7(11)6-8(9)12/h2-6H,12H2,1H3.
What are the key properties of 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline?
5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline has a molecular weight of 239.73 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methylimidazol-2-yl)sulfanylaniline is sourced from PubChem (CID 15077495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).