[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

C17H28N2S2 — CID 105260045

IUPAC[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2S2/c1-5-14-16(21-11-10-20-14)15(19-18)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-16,19H,5,10-11,18H2,1-4H3
InChIKeyXPWSTRGYRCLZCO-UHFFFAOYSA-N
MW324.56 g/mol
LogP4.12
Rot. Bonds4

About [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine

[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105260045) has the molecular formula C17H28N2S2 and a molecular weight of 324.56 g/mol. Its IUPAC name is [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105260045
Molecular FormulaC17H28N2S2
Molecular Weight324.56 g/mol
Exact Mass324.17
IUPAC Name[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
SMILESCCC1SCCSC1C(NN)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C17H28N2S2/c1-5-14-16(21-11-10-20-14)15(19-18)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-16,19H,5,10-11,18H2,1-4H3
InChIKeyXPWSTRGYRCLZCO-UHFFFAOYSA-N
XLogP4.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 54.12
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

[(3-ethyl-1,4-dithian-2-yl)-quinolin-7-ylmethyl]hydrazine
CID 105259841
N-[(3-ethyl-1,4-dithian-2-yl)-(4-propan-2-ylphenyl)methyl]ethanamine
CID 115387979
[(3-cyclobutylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine
CID 105259848
[(4-tert-butylphenyl)-(4-ethylcyclohexyl)methyl]hydrazine
CID 105231567
[(3-ethyl-1,4-dithian-2-yl)-(2-methoxy-5-methylphenyl)methyl]hydrazine
CID 105259892
(3-ethyl-1,4-dithian-2-yl)-(4-methylphenyl)methanamine
CID 115387500
1-(3,4-dimethoxyphenyl)-1-(3-ethyl-1,4-dithian-2-yl)-N-methylmethanamine
CID 115387707
N-[(3-ethyl-1,4-dithian-2-yl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115388066
N-[(4-tert-butylphenyl)-(1,4-dithian-2-yl)methyl]propan-1-amine
CID 79961294
1-(3-ethyl-1,4-dithian-2-yl)prop-2-ynylhydrazine
CID 105259884
[1-(3-ethyl-1,4-dithian-2-yl)-2-(4-fluoro-2-methylphenyl)ethyl]hydrazine
CID 105259997
[1-(3-ethyl-1,4-dithian-2-yl)-4-phenylbutyl]hydrazine
CID 105259775

Frequently Asked Questions

What is the IUPAC name of [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine (CID 105260045) is [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is CCC1SCCSC1C(NN)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is XPWSTRGYRCLZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S2/c1-5-14-16(21-11-10-20-14)15(19-18)12-6-8-13(9-7-12)17(2,3)4/h6-9,14-16,19H,5,10-11,18H2,1-4H3.
What are the key properties of [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine?
[(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 324.56 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylphenyl)-(3-ethyl-1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105260045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).