2-(1-pyridin-2-ylethylideneamino)benzenethiol

C13H12N2S — CID 135426936

IUPAC2-(1-pyridin-2-ylethylideneamino)benzenethiol
SMILESC/C(=N\c1ccccc1S)c1ccccn1
InChIInChI=1S/C13H12N2S/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h2-9,16H,1H3/b15-10+
InChIKeyLLFUAOUSVYXQCX-XNTDXEJSSA-N
MW228.32 g/mol
LogP3.51
Rot. Bonds2

About 2-(1-pyridin-2-ylethylideneamino)benzenethiol

2-(1-pyridin-2-ylethylideneamino)benzenethiol (PubChem CID 135426936) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-(1-pyridin-2-ylethylideneamino)benzenethiol.

Molecular Properties

Compound Name2-(1-pyridin-2-ylethylideneamino)benzenethiol
PubChem CID135426936
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-(1-pyridin-2-ylethylideneamino)benzenethiol
SMILESC/C(=N\c1ccccc1S)c1ccccn1
InChIInChI=1S/C13H12N2S/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h2-9,16H,1H3/b15-10+
InChIKeyLLFUAOUSVYXQCX-XNTDXEJSSA-N
XLogP3.51
TPSA25.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.51
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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Related Compounds

palladium(2+);bis(2-(1-pyridin-2-ylethylideneamino)benzenethiolate)
CID 10650522
dichloroiron;N-(2-propan-2-ylphenyl)-1-pyridin-2-ylethanimine
CID 153313891
N-(4-chlorophenyl)-1-pyridin-2-ylethanimine
CID 15815211
N-[2-[diphenyl-[2-(1-pyridin-2-ylethylideneamino)phenyl]sulfanylsilyl]sulfanylphenyl]-1-pyridin-2-ylethanimine
CID 10100620
N-methyl-1-pyridin-2-ylethanimine
CID 12970828
2-[3-(2-sulfanylphenyl)iminobutan-2-ylideneamino]benzenethiol
CID 136698371
N-(2,6-dibromophenyl)-1-pyridin-2-ylethanimine
CID 141267824
[(E)-1-pyridin-2-ylethylideneamino]methanol
CID 121226769
N-methoxy-1-pyridin-2-ylethanimine
CID 87078601
N-(2-methoxy-5-methylphenyl)-1-pyridin-2-ylethanimine
CID 118868171
1-pyridin-2-yl-N-[3-(1-pyridin-2-ylethylideneamino)propyl]ethanimine
CID 14907728
N-(2,6-diethylphenyl)-1-pyridin-2-ylethanimine;nickel(2+)
CID 158562372

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyridin-2-ylethylideneamino)benzenethiol?
The IUPAC name of 2-(1-pyridin-2-ylethylideneamino)benzenethiol (CID 135426936) is 2-(1-pyridin-2-ylethylideneamino)benzenethiol.
What is the SMILES notation for 2-(1-pyridin-2-ylethylideneamino)benzenethiol?
The canonical SMILES for 2-(1-pyridin-2-ylethylideneamino)benzenethiol is C/C(=N\c1ccccc1S)c1ccccn1.
What is the InChIKey of 2-(1-pyridin-2-ylethylideneamino)benzenethiol?
The InChIKey is LLFUAOUSVYXQCX-XNTDXEJSSA-N. The full InChI is InChI=1S/C13H12N2S/c1-10(11-6-4-5-9-14-11)15-12-7-2-3-8-13(12)16/h2-9,16H,1H3/b15-10+.
What are the key properties of 2-(1-pyridin-2-ylethylideneamino)benzenethiol?
2-(1-pyridin-2-ylethylideneamino)benzenethiol has a molecular weight of 228.32 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyridin-2-ylethylideneamino)benzenethiol is sourced from PubChem (CID 135426936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).