3-(5-chlorothiophen-2-yl)sulfanylaniline

C10H8ClNS2 — CID 117033124

IUPAC3-(5-chlorothiophen-2-yl)sulfanylaniline
SMILESNc1cccc(Sc2ccc(Cl)s2)c1
InChIInChI=1S/C10H8ClNS2/c11-9-4-5-10(14-9)13-8-3-1-2-7(12)6-8/h1-6H,12H2
InChIKeyDYFUUADMHNCAPS-UHFFFAOYSA-N
MW241.77 g/mol
LogP4.13
Rot. Bonds2

About 3-(5-chlorothiophen-2-yl)sulfanylaniline

3-(5-chlorothiophen-2-yl)sulfanylaniline (PubChem CID 117033124) has the molecular formula C10H8ClNS2 and a molecular weight of 241.77 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)sulfanylaniline.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)sulfanylaniline
PubChem CID117033124
Molecular FormulaC10H8ClNS2
Molecular Weight241.77 g/mol
Exact Mass240.98
IUPAC Name3-(5-chlorothiophen-2-yl)sulfanylaniline
SMILESNc1cccc(Sc2ccc(Cl)s2)c1
InChIInChI=1S/C10H8ClNS2/c11-9-4-5-10(14-9)13-8-3-1-2-7(12)6-8/h1-6H,12H2
InChIKeyDYFUUADMHNCAPS-UHFFFAOYSA-N
XLogP4.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.77
LogP ≤ 54.13
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 3-(5-chlorothiophen-2-yl)sulfanylaniline?
The IUPAC name of 3-(5-chlorothiophen-2-yl)sulfanylaniline (CID 117033124) is 3-(5-chlorothiophen-2-yl)sulfanylaniline.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)sulfanylaniline?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)sulfanylaniline is Nc1cccc(Sc2ccc(Cl)s2)c1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)sulfanylaniline?
The InChIKey is DYFUUADMHNCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNS2/c11-9-4-5-10(14-9)13-8-3-1-2-7(12)6-8/h1-6H,12H2.
What are the key properties of 3-(5-chlorothiophen-2-yl)sulfanylaniline?
3-(5-chlorothiophen-2-yl)sulfanylaniline has a molecular weight of 241.77 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)sulfanylaniline is sourced from PubChem (CID 117033124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).