[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine

C12H17FN2S — CID 105255383

IUPAC[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)C1CCCS1
InChIInChI=1S/C12H17FN2S/c1-8-7-9(13)4-5-10(8)12(15-14)11-3-2-6-16-11/h4-5,7,11-12,15H,2-3,6,14H2,1H3
InChIKeySEXBYPWCWLZJIB-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.53
Rot. Bonds3

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

[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine (PubChem CID 105255383) has the molecular formula C12H17FN2S and a molecular weight of 240.35 g/mol. Its IUPAC name is [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
PubChem CID105255383
Molecular FormulaC12H17FN2S
Molecular Weight240.35 g/mol
Exact Mass240.11
IUPAC Name[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
SMILESCc1cc(F)ccc1C(NN)C1CCCS1
InChIInChI=1S/C12H17FN2S/c1-8-7-9(13)4-5-10(8)12(15-14)11-3-2-6-16-11/h4-5,7,11-12,15H,2-3,6,14H2,1H3
InChIKeySEXBYPWCWLZJIB-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377
[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105255884
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
N-[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]ethanamine
CID 80622039
N-[(2,4-difluorophenyl)-(thiolan-2-yl)methyl]propan-1-amine
CID 80627749
[(2-propan-2-yloxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255493
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613
[(4-ethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255558
[(4-fluoro-2-methylphenyl)-(6-oxaspiro[4.5]decan-9-yl)methyl]hydrazine
CID 105256747

Frequently Asked Questions

What is the IUPAC name of [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The IUPAC name of [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine (CID 105255383) is [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine is Cc1cc(F)ccc1C(NN)C1CCCS1.
What is the InChIKey of [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
The InChIKey is SEXBYPWCWLZJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2S/c1-8-7-9(13)4-5-10(8)12(15-14)11-3-2-6-16-11/h4-5,7,11-12,15H,2-3,6,14H2,1H3.
What are the key properties of [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine?
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine has a molecular weight of 240.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine is sourced from PubChem (CID 105255383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).