2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine

C9H4Cl3NS2 — CID 102752219

IUPAC2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
SMILESClc1cc(Cl)c(Sc2cccs2)nc1Cl
InChIInChI=1S/C9H4Cl3NS2/c10-5-4-6(11)9(13-8(5)12)15-7-2-1-3-14-7/h1-4H
InChIKeyHXMBKCBXVFOYFP-UHFFFAOYSA-N
MW296.63 g/mol
LogP5.25
Rot. Bonds2

About 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine

2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine (PubChem CID 102752219) has the molecular formula C9H4Cl3NS2 and a molecular weight of 296.63 g/mol. Its IUPAC name is 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine.

Molecular Properties

Compound Name2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
PubChem CID102752219
Molecular FormulaC9H4Cl3NS2
Molecular Weight296.63 g/mol
Exact Mass294.89
IUPAC Name2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
SMILESClc1cc(Cl)c(Sc2cccs2)nc1Cl
InChIInChI=1S/C9H4Cl3NS2/c10-5-4-6(11)9(13-8(5)12)15-7-2-1-3-14-7/h1-4H
InChIKeyHXMBKCBXVFOYFP-UHFFFAOYSA-N
XLogP5.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.63
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3,5-dichloro-6-thiophen-2-ylsulfanyl-2-pyridinyl)hydrazine
CID 102763217
1-chloro-4-thiophen-2-ylsulfanylphthalazine
CID 62140617
2,3,5-trichloro-6-[(3-chloro-2-pyridinyl)sulfanyl]pyridine
CID 102752380
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
2-chloro-4-thiophen-2-ylsulfanylquinazoline
CID 55080729
2-(2,4-dichlorophenyl)sulfanylthiophene
CID 175549844
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
CID 115474595
2,3,5-trichloro-6-(2-fluorophenyl)sulfanylpyridine
CID 102752241
4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
CID 83156010
2,3,5-trichloro-6-thiophen-2-ylpyridine
CID 102752496
2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
CID 79073513

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine?
The IUPAC name of 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine (CID 102752219) is 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine.
What is the SMILES notation for 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine?
The canonical SMILES for 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine is Clc1cc(Cl)c(Sc2cccs2)nc1Cl.
What is the InChIKey of 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine?
The InChIKey is HXMBKCBXVFOYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl3NS2/c10-5-4-6(11)9(13-8(5)12)15-7-2-1-3-14-7/h1-4H.
What are the key properties of 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine?
2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine has a molecular weight of 296.63 g/mol, XLogP of 5.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine is sourced from PubChem (CID 102752219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).