[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine

C14H20F2N2S2 — CID 107516548

IUPAC[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSC(C)C(C)S2)c(F)c1F
InChIInChI=1S/C14H20F2N2S2/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-19-8(2)9(3)20-11/h4-5,8-9,11,14,18H,6,17H2,1-3H3
InChIKeyQDWKYHUUZHSRLK-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.40
Rot. Bonds3

About [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine

[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 107516548) has the molecular formula C14H20F2N2S2 and a molecular weight of 318.46 g/mol. Its IUPAC name is [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID107516548
Molecular FormulaC14H20F2N2S2
Molecular Weight318.46 g/mol
Exact Mass318.10
IUPAC Name[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)C2CSC(C)C(C)S2)c(F)c1F
InChIInChI=1S/C14H20F2N2S2/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-19-8(2)9(3)20-11/h4-5,8-9,11,14,18H,6,17H2,1-3H3
InChIKeyQDWKYHUUZHSRLK-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(5,6-dimethyl-1,4-dithian-2-yl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 106884464
[(5,6-dimethyl-1,4-dithian-2-yl)-(2-methoxyphenyl)methyl]hydrazine
CID 103347185
3-[(5,6-dimethyl-1,4-dithian-2-yl)-hydrazinylmethyl]pyridin-4-amine
CID 103347226
[(5,6-dimethyl-1,4-dithian-2-yl)-(4-ethoxyphenyl)methyl]hydrazine
CID 103347176
[cyclooctyl-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107516472
[(2,3-difluoro-4-methylphenyl)-(5-methyloxolan-2-yl)methyl]hydrazine
CID 107516568
1-(5,6-dimethyl-1,4-dithian-2-yl)-1-(3,4-dimethylphenyl)-N-methylmethanamine
CID 103345907
1-(4-chloro-2-fluorophenyl)-1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 103345735
[(5,6-dimethyl-1,4-dithian-2-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103347136
N-[(5,6-dimethyl-1,4-dithian-2-yl)-(2,4-dimethylphenyl)methyl]propan-1-amine
CID 103346326
[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 107516672
[(3,5-dimethoxyphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 103347267

Frequently Asked Questions

What is the IUPAC name of [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine (CID 107516548) is [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine is Cc1ccc(C(NN)C2CSC(C)C(C)S2)c(F)c1F.
What is the InChIKey of [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is QDWKYHUUZHSRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2S2/c1-7-4-5-10(13(16)12(7)15)14(18-17)11-6-19-8(2)9(3)20-11/h4-5,8-9,11,14,18H,6,17H2,1-3H3.
What are the key properties of [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine?
[(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 318.46 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3-difluoro-4-methylphenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 107516548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).