[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine

C14H20N2S2 — CID 105226376

IUPAC[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
SMILESCC(C)(C)SCC(NN)c1cccc2ccsc12
InChIInChI=1S/C14H20N2S2/c1-14(2,3)18-9-12(16-15)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,16H,9,15H2,1-3H3
InChIKeyDGTCOPNAMOYVNK-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.94
Rot. Bonds4

About [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine

[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine (PubChem CID 105226376) has the molecular formula C14H20N2S2 and a molecular weight of 280.46 g/mol. Its IUPAC name is [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
PubChem CID105226376
Molecular FormulaC14H20N2S2
Molecular Weight280.46 g/mol
Exact Mass280.11
IUPAC Name[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine
SMILESCC(C)(C)SCC(NN)c1cccc2ccsc12
InChIInChI=1S/C14H20N2S2/c1-14(2,3)18-9-12(16-15)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,16H,9,15H2,1-3H3
InChIKeyDGTCOPNAMOYVNK-UHFFFAOYSA-N
XLogP3.94
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.94
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

[1-(1-benzothiophen-7-yl)-2-cyclohexylsulfanylethyl]hydrazine
CID 105227744
[1-(1-benzothiophen-7-yl)-2-(4-methylphenyl)ethyl]hydrazine
CID 105211276
[1-(1-benzothiophen-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215616
[1-(1-benzothiophen-7-yl)-2-propoxyethyl]hydrazine
CID 105209936
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-(1-benzothiophen-7-yl)-2-(2-fluorophenyl)ethyl]hydrazine
CID 105206873
[1-(1-benzothiophen-7-yl)-2-(3,5-difluorophenyl)ethyl]hydrazine
CID 105206637
[1-(1-benzothiophen-7-yl)-2-methylpropyl]hydrazine
CID 105199493
1-(1-benzothiophen-7-yl)-2-(tert-butylamino)ethanol
CID 81146470
[1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethyl]hydrazine
CID 105226600
N-[1-(1-benzothiophen-7-yl)-2-methylsulfanylethyl]propan-1-amine
CID 81153084
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727

Frequently Asked Questions

What is the IUPAC name of [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine?
The IUPAC name of [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine (CID 105226376) is [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine.
What is the SMILES notation for [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine?
The canonical SMILES for [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine is CC(C)(C)SCC(NN)c1cccc2ccsc12.
What is the InChIKey of [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine?
The InChIKey is DGTCOPNAMOYVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2S2/c1-14(2,3)18-9-12(16-15)11-6-4-5-10-7-8-17-13(10)11/h4-8,12,16H,9,15H2,1-3H3.
What are the key properties of [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine?
[1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine has a molecular weight of 280.46 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-benzothiophen-7-yl)-2-tert-butylsulfanylethyl]hydrazine is sourced from PubChem (CID 105226376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).