[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

C12H18Cl2N2S — CID 105225978

IUPAC[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)SCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C12H18Cl2N2S/c1-8(2)17-7-10(16-15)5-9-3-4-11(13)12(14)6-9/h3-4,6,8,10,16H,5,7,15H2,1-2H3
InChIKeyLAMOCSIODIMEIL-UHFFFAOYSA-N
MW293.26 g/mol
LogP3.51
Rot. Bonds6

About [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine

[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (PubChem CID 105225978) has the molecular formula C12H18Cl2N2S and a molecular weight of 293.26 g/mol. Its IUPAC name is [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
PubChem CID105225978
Molecular FormulaC12H18Cl2N2S
Molecular Weight293.26 g/mol
Exact Mass292.06
IUPAC Name[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine
SMILESCC(C)SCC(Cc1ccc(Cl)c(Cl)c1)NN
InChIInChI=1S/C12H18Cl2N2S/c1-8(2)17-7-10(16-15)5-9-3-4-11(13)12(14)6-9/h3-4,6,8,10,16H,5,7,15H2,1-2H3
InChIKeyLAMOCSIODIMEIL-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-(3,4-dichlorophenyl)-4-methylpentan-2-yl]hydrazine
CID 105198848
[1-(3,4-dichlorophenyl)-3-propylsulfanylpropan-2-yl]hydrazine
CID 105225610
1-(3,4-dichlorophenyl)heptan-2-ylhydrazine
CID 105210910
1-(4-chloro-3-fluorophenyl)-N-methyl-3-propan-2-ylsulfanylpropan-2-amine
CID 107884766
[1-(3,4-dichlorophenyl)-3-methylpentan-2-yl]hydrazine
CID 105210893
[1-(3,4-dichlorophenyl)-3-(5-ethylthiophen-2-yl)propan-2-yl]hydrazine
CID 105210859
[1-(3,4-dichlorophenyl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929753
[1-butan-2-ylsulfanyl-3-(3-chlorophenyl)propan-2-yl]hydrazine
CID 105227316
[1-(3-chloro-4-fluorophenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 103043949
1-(4-chloro-3-fluorophenyl)-3-(3,4-dichlorophenyl)-N-methylpropan-2-amine
CID 107884629
[1-(5-bromothiophen-2-yl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105210762
[1-(3-chloro-2-fluorophenyl)-3-(3,4-dichlorophenyl)propan-2-yl]hydrazine
CID 105264302

Frequently Asked Questions

What is the IUPAC name of [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine (CID 105225978) is [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is CC(C)SCC(Cc1ccc(Cl)c(Cl)c1)NN.
What is the InChIKey of [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
The InChIKey is LAMOCSIODIMEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2S/c1-8(2)17-7-10(16-15)5-9-3-4-11(13)12(14)6-9/h3-4,6,8,10,16H,5,7,15H2,1-2H3.
What are the key properties of [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine?
[1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine has a molecular weight of 293.26 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,4-dichlorophenyl)-3-propan-2-ylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105225978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).