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

C11H15ClN2S2 — CID 105249146

IUPAC[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1ccccc1Cl)C1CSCCS1
InChIInChI=1S/C11H15ClN2S2/c12-9-4-2-1-3-8(9)11(14-13)10-7-15-5-6-16-10/h1-4,10-11,14H,5-7,13H2
InChIKeyVYNYVZAAZKCFFR-UHFFFAOYSA-N
MW274.84 g/mol
LogP2.69
Rot. Bonds3

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

[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105249146) has the molecular formula C11H15ClN2S2 and a molecular weight of 274.84 g/mol. Its IUPAC name is [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105249146
Molecular FormulaC11H15ClN2S2
Molecular Weight274.84 g/mol
Exact Mass274.04
IUPAC Name[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1ccccc1Cl)C1CSCCS1
InChIInChI=1S/C11H15ClN2S2/c12-9-4-2-1-3-8(9)11(14-13)10-7-15-5-6-16-10/h1-4,10-11,14H,5-7,13H2
InChIKeyVYNYVZAAZKCFFR-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.69
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

[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
1-(2-chlorophenyl)-N-methyl-1-(thiolan-2-yl)methanamine
CID 80621667
[(2-chlorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105287444
[(2-chlorophenyl)-cyclopentylmethyl]hydrazine
CID 91756387
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(2-chlorophenyl)-(2,3-dihydro-1H-inden-2-yl)methyl]hydrazine
CID 105234082
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
2-(2-chlorophenyl)-1-(1,4-dithian-2-yl)-N-ethylethanamine
CID 79965548
[2-(4-chlorophenyl)-1-(1,4-dithian-2-yl)ethyl]hydrazine
CID 105249447
[(2,3-dichlorophenyl)-(thiolan-3-yl)methyl]hydrazine
CID 105301765
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
1-(1,4-dithian-2-yl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 79966450

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine (CID 105249146) is [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine is NNC(c1ccccc1Cl)C1CSCCS1.
What is the InChIKey of [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is VYNYVZAAZKCFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2S2/c12-9-4-2-1-3-8(9)11(14-13)10-7-15-5-6-16-10/h1-4,10-11,14H,5-7,13H2.
What are the key properties of [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 274.84 g/mol, XLogP of 2.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).