6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine

C9H7ClN2S2 — CID 115474595

IUPAC6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1cccs1
InChIInChI=1S/C9H7ClN2S2/c10-7-4-3-6(11)9(12-7)14-8-2-1-5-13-8/h1-5H,11H2
InChIKeyUHJFVAXTVZBQTM-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.53
Rot. Bonds2

About 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine

6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine (PubChem CID 115474595) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
PubChem CID115474595
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine
SMILESNc1ccc(Cl)nc1Sc1cccs1
InChIInChI=1S/C9H7ClN2S2/c10-7-4-3-6(11)9(12-7)14-8-2-1-5-13-8/h1-5H,11H2
InChIKeyUHJFVAXTVZBQTM-UHFFFAOYSA-N
XLogP3.53
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(1,3-thiazol-2-ylsulfanyl)pyridin-3-amine
CID 115474613
4-chloro-2-thiophen-2-ylsulfanyl-1,3-thiazole
CID 83156010
2,3,5-trichloro-6-thiophen-2-ylsulfanylpyridine
CID 102752219
4-chloro-2-ethyl-5-methyl-6-thiophen-2-ylsulfanylpyrimidine
CID 80978184
6-chloro-2-pyridin-2-ylsulfanylpyridin-3-amine
CID 115474582
2-(2-bromophenyl)sulfanyl-6-chloropyridin-3-amine
CID 115474601
(3,5-dichloro-6-thiophen-2-ylsulfanyl-2-pyridinyl)hydrazine
CID 102763217
2-chloro-5-methyl-4-thiophen-2-ylsulfanylpyrimidine
CID 79073513
2-chloro-4-thiophen-2-ylsulfanylquinazoline
CID 55080729
1-chloro-4-thiophen-2-ylsulfanylphthalazine
CID 62140617
5-methyl-2-propan-2-yl-6-thiophen-2-ylsulfanylpyrimidin-4-amine
CID 80989981
4-chloro-6-thiophen-2-ylsulfanylpyrimidine
CID 61279172

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine?
The IUPAC name of 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine (CID 115474595) is 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine.
What is the SMILES notation for 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine?
The canonical SMILES for 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine is Nc1ccc(Cl)nc1Sc1cccs1.
What is the InChIKey of 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine?
The InChIKey is UHJFVAXTVZBQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c10-7-4-3-6(11)9(12-7)14-8-2-1-5-13-8/h1-5H,11H2.
What are the key properties of 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine?
6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine has a molecular weight of 242.76 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-thiophen-2-ylsulfanylpyridin-3-amine is sourced from PubChem (CID 115474595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).