3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol

C12H13N3OS — CID 104591146

IUPAC3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
SMILESNNc1cccc(CSc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3OS/c13-15-12-6-1-3-9(14-12)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8,13H2,(H,14,15)
InChIKeyPLAINFBOOOPXMH-UHFFFAOYSA-N
MW247.32 g/mol
LogP2.37
Rot. Bonds4

About 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol

3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol (PubChem CID 104591146) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
PubChem CID104591146
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol
SMILESNNc1cccc(CSc2cccc(O)c2)n1
InChIInChI=1S/C12H13N3OS/c13-15-12-6-1-3-9(14-12)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8,13H2,(H,14,15)
InChIKeyPLAINFBOOOPXMH-UHFFFAOYSA-N
XLogP2.37
TPSA71.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(5-aminopyrazin-2-yl)methylsulfanyl]phenol
CID 103060385
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]propan-1-ol
CID 79232930
3-[(6-chloropyridazin-3-yl)methylsulfanyl]phenol
CID 104590024
[6-(1,3-oxazol-2-ylsulfanylmethyl)-2-pyridinyl]hydrazine
CID 106925681
[6-[(1-methylimidazol-2-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232113
[6-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-pyridinyl]hydrazine
CID 79232663
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
3-[(1-phenylpyrazol-3-yl)methylsulfanyl]phenol
CID 104590475
3-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]phenol
CID 104590242
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
3-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenol
CID 104590238
[6-[(2-methylphenyl)methylsulfanylmethyl]-2-pyridinyl]hydrazine
CID 79233187

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The IUPAC name of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol (CID 104591146) is 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol.
What is the SMILES notation for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The canonical SMILES for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol is NNc1cccc(CSc2cccc(O)c2)n1.
What is the InChIKey of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
The InChIKey is PLAINFBOOOPXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c13-15-12-6-1-3-9(14-12)8-17-11-5-2-4-10(16)7-11/h1-7,16H,8,13H2,(H,14,15).
What are the key properties of 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol?
3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol has a molecular weight of 247.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-2-pyridinyl)methylsulfanyl]phenol is sourced from PubChem (CID 104591146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).