5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione

C7H8N2OS — CID 137138262

IUPAC5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(/C=N\O)c[nH]c1=S
InChIInChI=1S/C7H8N2OS/c1-5-2-6(4-9-10)3-8-7(5)11/h2-4,10H,1H3,(H,8,11)/b9-4-
InChIKeyDINNQXDDLBSAPX-WTKPLQERSA-N
MW168.22 g/mol
LogP1.86
Rot. Bonds1

About 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione

5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione (PubChem CID 137138262) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione.

Molecular Properties

Compound Name5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione
PubChem CID137138262
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione
SMILESCc1cc(/C=N\O)c[nH]c1=S
InChIInChI=1S/C7H8N2OS/c1-5-2-6(4-9-10)3-8-7(5)11/h2-4,10H,1H3,(H,8,11)/b9-4-
InChIKeyDINNQXDDLBSAPX-WTKPLQERSA-N
XLogP1.86
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione?
The IUPAC name of 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione (CID 137138262) is 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione.
What is the SMILES notation for 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione?
The canonical SMILES for 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione is Cc1cc(/C=N\O)c[nH]c1=S.
What is the InChIKey of 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione?
The InChIKey is DINNQXDDLBSAPX-WTKPLQERSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-2-6(4-9-10)3-8-7(5)11/h2-4,10H,1H3,(H,8,11)/b9-4-.
What are the key properties of 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione?
5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione has a molecular weight of 168.22 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-hydroxyiminomethyl]-3-methyl-1H-pyridine-2-thione is sourced from PubChem (CID 137138262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).