2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol

C10H14N2S — CID 71362573

IUPAC2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
SMILESCC(C)(S)C/N=C/c1ccccn1
InChIInChI=1S/C10H14N2S/c1-10(2,13)8-11-7-9-5-3-4-6-12-9/h3-7,13H,8H2,1-2H3/b11-7+
InChIKeyCNQJTLVMMVRSRB-YRNVUSSQSA-N
MW194.30 g/mol
LogP2.21
Rot. Bonds3

About 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol

2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol (PubChem CID 71362573) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol.

Molecular Properties

Compound Name2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
PubChem CID71362573
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol
SMILESCC(C)(S)C/N=C/c1ccccn1
InChIInChI=1S/C10H14N2S/c1-10(2,13)8-11-7-9-5-3-4-6-12-9/h3-7,13H,8H2,1-2H3/b11-7+
InChIKeyCNQJTLVMMVRSRB-YRNVUSSQSA-N
XLogP2.21
TPSA25.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol?
The IUPAC name of 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol (CID 71362573) is 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol.
What is the SMILES notation for 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol?
The canonical SMILES for 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol is CC(C)(S)C/N=C/c1ccccn1.
What is the InChIKey of 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol?
The InChIKey is CNQJTLVMMVRSRB-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H14N2S/c1-10(2,13)8-11-7-9-5-3-4-6-12-9/h3-7,13H,8H2,1-2H3/b11-7+.
What are the key properties of 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol?
2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol has a molecular weight of 194.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridin-2-ylmethylideneamino)propane-2-thiol is sourced from PubChem (CID 71362573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).