[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine

C13H20N2S2 — CID 105259440

IUPAC[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
SMILESCc1ccccc1C(NN)C1SCCSC1C
InChIInChI=1S/C13H20N2S2/c1-9-5-3-4-6-11(9)12(15-14)13-10(2)16-7-8-17-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3
InChIKeyATHVWVXAVYOOAA-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.74
Rot. Bonds3

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

[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine (PubChem CID 105259440) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
PubChem CID105259440
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine
SMILESCc1ccccc1C(NN)C1SCCSC1C
InChIInChI=1S/C13H20N2S2/c1-9-5-3-4-6-11(9)12(15-14)13-10(2)16-7-8-17-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3
InChIKeyATHVWVXAVYOOAA-UHFFFAOYSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.74
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'}

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Related Compounds

[(3-methyl-1,4-dithian-2-yl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105259619
[1-(3-methyl-1,4-dithian-2-yl)-2-(2-methylphenyl)ethyl]hydrazine
CID 105259569
[3,4-dihydro-2H-chromen-8-yl-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259732
[(3-fluoro-4-methylphenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 107130861
[(3-methyl-1,4-dithian-2-yl)-thiophen-3-ylmethyl]hydrazine
CID 105259470
[(3-bromofuran-2-yl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259746
[cyclooctyl-(2-methylphenyl)methyl]hydrazine
CID 105254975
[(3,5-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259663
[(3,4-difluorophenyl)-(3-methyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259573
N-methyl-1-(3-methyl-1,4-dithian-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115386818
1-(2,3-dichlorophenyl)-N-methyl-1-(3-methyl-1,4-dithian-2-yl)methanamine
CID 113299545
[(3-methyl-1,4-dithian-2-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105259576

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine?
The IUPAC name of [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine (CID 105259440) is [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine is Cc1ccccc1C(NN)C1SCCSC1C.
What is the InChIKey of [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine?
The InChIKey is ATHVWVXAVYOOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-9-5-3-4-6-11(9)12(15-14)13-10(2)16-7-8-17-13/h3-6,10,12-13,15H,7-8,14H2,1-2H3.
What are the key properties of [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine?
[(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine has a molecular weight of 268.45 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-1,4-dithian-2-yl)-(2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 105259440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).