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

C14H20N2OS2 — CID 105249218

IUPAC[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(OC2CC2)cc1)C1CSCCS1
InChIInChI=1S/C14H20N2OS2/c15-16-14(13-9-18-7-8-19-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14,16H,5-9,15H2
InChIKeyRUFBDMSDIBBYGS-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.58
Rot. Bonds5

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

[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105249218) has the molecular formula C14H20N2OS2 and a molecular weight of 296.46 g/mol. Its IUPAC name is [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105249218
Molecular FormulaC14H20N2OS2
Molecular Weight296.46 g/mol
Exact Mass296.10
IUPAC Name[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1ccc(OC2CC2)cc1)C1CSCCS1
InChIInChI=1S/C14H20N2OS2/c15-16-14(13-9-18-7-8-19-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14,16H,5-9,15H2
InChIKeyRUFBDMSDIBBYGS-UHFFFAOYSA-N
XLogP2.58
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.58
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

[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(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
N-[(4-cyclopropyloxyphenyl)-(thiolan-3-yl)methyl]ethanamine
CID 105188447
[(4-cyclopropyloxyphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231410
[(4-cyclopropyloxyphenyl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105341053
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
[(4-cyclopropyloxyphenyl)-(4-methylphenyl)methyl]hydrazine
CID 105194287
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[(4-cyclopropyloxyphenyl)-(1,4-diazabicyclo[2.2.2]octan-2-yl)methyl]hydrazine
CID 105249906

Frequently Asked Questions

What is the IUPAC name of [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine (CID 105249218) is [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine is NNC(c1ccc(OC2CC2)cc1)C1CSCCS1.
What is the InChIKey of [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is RUFBDMSDIBBYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS2/c15-16-14(13-9-18-7-8-19-13)10-1-3-11(4-2-10)17-12-5-6-12/h1-4,12-14,16H,5-9,15H2.
What are the key properties of [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine?
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 296.46 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).