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

C12H18N2OS2 — CID 105249296

IUPAC[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSCCS2)cc1
InChIInChI=1S/C12H18N2OS2/c1-15-10-4-2-9(3-5-10)12(14-13)11-8-16-6-7-17-11/h2-5,11-12,14H,6-8,13H2,1H3
InChIKeyRHTHLIRENJNIQD-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.05
Rot. Bonds4

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

[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine (PubChem CID 105249296) has the molecular formula C12H18N2OS2 and a molecular weight of 270.42 g/mol. Its IUPAC name is [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
PubChem CID105249296
Molecular FormulaC12H18N2OS2
Molecular Weight270.42 g/mol
Exact Mass270.09
IUPAC Name[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CSCCS2)cc1
InChIInChI=1S/C12H18N2OS2/c1-15-10-4-2-9(3-5-10)12(14-13)11-8-16-6-7-17-11/h2-5,11-12,14H,6-8,13H2,1H3
InChIKeyRHTHLIRENJNIQD-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255443
[1,4-dithian-2-yl-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 105249366
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
N-[(2,5-dimethoxyphenyl)-(1,4-dithian-2-yl)methyl]ethanamine
CID 79966705
[2,3-dihydro-1-benzothiophen-3-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105286232
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249432
[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine (CID 105249296) is [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine is COc1ccc(C(NN)C2CSCCS2)cc1.
What is the InChIKey of [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine?
The InChIKey is RHTHLIRENJNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS2/c1-15-10-4-2-9(3-5-10)12(14-13)11-8-16-6-7-17-11/h2-5,11-12,14H,6-8,13H2,1H3.
What are the key properties of [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine?
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine has a molecular weight of 270.42 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine is sourced from PubChem (CID 105249296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).