2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile

C9H5ClN4S — CID 169340826

IUPAC2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Cl)cc1S
InChIInChI=1S/C9H5ClN4S/c10-6-1-2-8(9(15)3-6)14-13-7(4-11)5-12/h1-3,14-15H
InChIKeyCWBYANSYXYSHCR-UHFFFAOYSA-N
MW236.69 g/mol
LogP2.44
Rot. Bonds2

About 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile

2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340826) has the molecular formula C9H5ClN4S and a molecular weight of 236.69 g/mol. Its IUPAC name is 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169340826
Molecular FormulaC9H5ClN4S
Molecular Weight236.69 g/mol
Exact Mass235.99
IUPAC Name2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Cl)cc1S
InChIInChI=1S/C9H5ClN4S/c10-6-1-2-8(9(15)3-6)14-13-7(4-11)5-12/h1-3,14-15H
InChIKeyCWBYANSYXYSHCR-UHFFFAOYSA-N
XLogP2.44
TPSA71.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[(2,5-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169341882
2-[(3-chlorophenyl)hydrazinylidene]propanedinitrile
CID 2603
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(5-chloro-2-morpholin-4-ylphenyl)hydrazinylidene]propanedinitrile
CID 169339155
2-[(2-cyano-3,4-difluorophenyl)hydrazinylidene]propanedinitrile
CID 169340874
2-[[2-(3-chlorophenoxy)phenyl]hydrazinylidene]propanedinitrile
CID 169338954
2-[(2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 4229918
2-[(4-ethynyl-2-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169340845

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile (CID 169340826) is 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Cl)cc1S.
What is the InChIKey of 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is CWBYANSYXYSHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClN4S/c10-6-1-2-8(9(15)3-6)14-13-7(4-11)5-12/h1-3,14-15H.
What are the key properties of 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile?
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 236.69 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).