[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine

C12H18N2OS — CID 105255443

IUPAC[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCS2)cc1
InChIInChI=1S/C12H18N2OS/c1-15-10-6-4-9(5-7-10)12(14-13)11-3-2-8-16-11/h4-7,11-12,14H,2-3,8,13H2,1H3
InChIKeyQTEVEHWTKSXGPX-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.10
Rot. Bonds4

About [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine

[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255443) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255443
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCOc1ccc(C(NN)C2CCCS2)cc1
InChIInChI=1S/C12H18N2OS/c1-15-10-6-4-9(5-7-10)12(14-13)11-3-2-8-16-11/h4-7,11-12,14H,2-3,8,13H2,1H3
InChIKeyQTEVEHWTKSXGPX-UHFFFAOYSA-N
XLogP2.10
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.10
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

[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
[cyclohexyl-(4-methoxyphenyl)methyl]hydrazine
CID 105190838
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255698
(4-methoxyphenyl)-(thian-2-yl)methanol
CID 80622350
[[4-fluoro-3-(trifluoromethyl)phenyl]-(thiolan-2-yl)methyl]hydrazine
CID 107292378
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608

Frequently Asked Questions

What is the IUPAC name of [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255443) is [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine is COc1ccc(C(NN)C2CCCS2)cc1.
What is the InChIKey of [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is QTEVEHWTKSXGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-15-10-6-4-9(5-7-10)12(14-13)11-3-2-8-16-11/h4-7,11-12,14H,2-3,8,13H2,1H3.
What are the key properties of [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 238.36 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).