S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine

C6H9N3S — CID 143465794

IUPACS-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
SMILESNSCc1ccnc(N)c1
InChIInChI=1S/C6H9N3S/c7-6-3-5(4-10-8)1-2-9-6/h1-3H,4,8H2,(H2,7,9)
InChIKeyIFVBEGKDTLFKEI-UHFFFAOYSA-N
MW155.23 g/mol
LogP0.77
Rot. Bonds2

About S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine

S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine (PubChem CID 143465794) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine.

Molecular Properties

Compound NameS-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
PubChem CID143465794
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC NameS-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine
SMILESNSCc1ccnc(N)c1
InChIInChI=1S/C6H9N3S/c7-6-3-5(4-10-8)1-2-9-6/h1-3H,4,8H2,(H2,7,9)
InChIKeyIFVBEGKDTLFKEI-UHFFFAOYSA-N
XLogP0.77
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Aminopyridine
CID 10439
2-Amino-4-methylpyridine
CID 1533
2-Amino-3-methylpyridine
CID 15347
2-Amino-5-methylpyridine
CID 15348
2-(Benzylamino)pyridine
CID 23362
4-Pyridinemethanamine
CID 77317
4-Pyridinecarbothioamide
CID 2723788
2-Amino-5-(trifluoromethyl)pyridine
CID 735862
2-Pyridinamine, 5-iodo-
CID 88579
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
4-Pyridineethanamine
CID 83275
5-Phenyl-2-pyridinamine
CID 105097

Frequently Asked Questions

What is the IUPAC name of S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine?
The IUPAC name of S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine (CID 143465794) is S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine.
What is the SMILES notation for S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine?
The canonical SMILES for S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine is NSCc1ccnc(N)c1.
What is the InChIKey of S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine?
The InChIKey is IFVBEGKDTLFKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c7-6-3-5(4-10-8)1-2-9-6/h1-3H,4,8H2,(H2,7,9).
What are the key properties of S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine?
S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine has a molecular weight of 155.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-[(2-amino-4-pyridinyl)methyl]thiohydroxylamine is sourced from PubChem (CID 143465794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).