2-aminosulfanylpyridine-3-carbaldehyde

C6H6N2OS — CID 155744539

IUPAC2-aminosulfanylpyridine-3-carbaldehyde
SMILESNSc1ncccc1C=O
InChIInChI=1S/C6H6N2OS/c7-10-6-5(4-9)2-1-3-8-6/h1-4H,7H2
InChIKeyJECLRBFNJFWHGA-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.86
Rot. Bonds2

About 2-aminosulfanylpyridine-3-carbaldehyde

2-aminosulfanylpyridine-3-carbaldehyde (PubChem CID 155744539) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 2-aminosulfanylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-aminosulfanylpyridine-3-carbaldehyde
PubChem CID155744539
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name2-aminosulfanylpyridine-3-carbaldehyde
SMILESNSc1ncccc1C=O
InChIInChI=1S/C6H6N2OS/c7-10-6-5(4-9)2-1-3-8-6/h1-4H,7H2
InChIKeyJECLRBFNJFWHGA-UHFFFAOYSA-N
XLogP0.86
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-formyl-2-pyridinyl) thiocyanate
CID 22633088
2-benzylsulfanylpyridine-3-carbaldehyde
CID 4531915
(3-formyl-2-pyridinyl)boronic acid
CID 130822828
2-[2-(aminomethyl)-3,4-dichlorophenyl]sulfanylpyridine-3-carbaldehyde
CID 129079194
2-(2,3-dihydro-1H-inden-5-ylsulfanyl)pyridine-3-carbaldehyde
CID 114057208
2-methanimidoylpyridine-3-carbaldehyde
CID 139520379
benzene-1,4-diamine;2-methylpyridine-3-carbaldehyde
CID 143052286
quinoline-5-carbaldehyde;hydrochloride
CID 174461977
3-formylpyridine-2-sulfonic acid
CID 87563681
5-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]benzaldehyde
CID 114863747
N-[[2-[(3-formyl-2-pyridinyl)sulfanyl]-3-methylphenyl]methyl]formamide
CID 154933865
2-(4-oxobut-1-enyl)pyridine-3-carbaldehyde
CID 170481627

Frequently Asked Questions

What is the IUPAC name of 2-aminosulfanylpyridine-3-carbaldehyde?
The IUPAC name of 2-aminosulfanylpyridine-3-carbaldehyde (CID 155744539) is 2-aminosulfanylpyridine-3-carbaldehyde.
What is the SMILES notation for 2-aminosulfanylpyridine-3-carbaldehyde?
The canonical SMILES for 2-aminosulfanylpyridine-3-carbaldehyde is NSc1ncccc1C=O.
What is the InChIKey of 2-aminosulfanylpyridine-3-carbaldehyde?
The InChIKey is JECLRBFNJFWHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c7-10-6-5(4-9)2-1-3-8-6/h1-4H,7H2.
What are the key properties of 2-aminosulfanylpyridine-3-carbaldehyde?
2-aminosulfanylpyridine-3-carbaldehyde has a molecular weight of 154.19 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminosulfanylpyridine-3-carbaldehyde is sourced from PubChem (CID 155744539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).