[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine

C15H24N2S — CID 105255884

IUPAC[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCCCS2)cc1C
InChIInChI=1S/C15H24N2S/c1-10-8-12(3)13(9-11(10)2)15(17-16)14-6-4-5-7-18-14/h8-9,14-15,17H,4-7,16H2,1-3H3
InChIKeyMSCLYJYJDBACAT-UHFFFAOYSA-N
MW264.44 g/mol
LogP3.40
Rot. Bonds3

About [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine

[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (PubChem CID 105255884) has the molecular formula C15H24N2S and a molecular weight of 264.44 g/mol. Its IUPAC name is [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
PubChem CID105255884
Molecular FormulaC15H24N2S
Molecular Weight264.44 g/mol
Exact Mass264.17
IUPAC Name[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
SMILESCc1cc(C)c(C(NN)C2CCCCS2)cc1C
InChIInChI=1S/C15H24N2S/c1-10-8-12(3)13(9-11(10)2)15(17-16)14-6-4-5-7-18-14/h8-9,14-15,17H,4-7,16H2,1-3H3
InChIKeyMSCLYJYJDBACAT-UHFFFAOYSA-N
XLogP3.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.40
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

[(5-fluoro-2-methylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255690
N-methyl-1-(thiolan-2-yl)-1-(2,4,5-trimethylphenyl)methanamine
CID 80622016
[(2,4-dimethylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255377
[(4-fluoro-2-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255383
[(4-propan-2-ylphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255964
[(4-chloro-3-methoxyphenyl)-(thian-2-yl)methyl]hydrazine
CID 105255698
[(3-fluoro-5-methylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255608
[(1-methylpyrazol-4-yl)-(thian-2-yl)methyl]hydrazine
CID 105255705
[2,3-dihydrofuran-5-yl(thian-2-yl)methyl]hydrazine
CID 102654276
[isoquinolin-4-yl(thian-2-yl)methyl]hydrazine
CID 105255789
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
[(4-propan-2-ylphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255613

Frequently Asked Questions

What is the IUPAC name of [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The IUPAC name of [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine (CID 105255884) is [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine.
What is the SMILES notation for [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The canonical SMILES for [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is Cc1cc(C)c(C(NN)C2CCCCS2)cc1C.
What is the InChIKey of [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
The InChIKey is MSCLYJYJDBACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2S/c1-10-8-12(3)13(9-11(10)2)15(17-16)14-6-4-5-7-18-14/h8-9,14-15,17H,4-7,16H2,1-3H3.
What are the key properties of [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine?
[thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine has a molecular weight of 264.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [thian-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine is sourced from PubChem (CID 105255884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).