[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine

C17H18N2S2 — CID 106850395

IUPAC[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine
SMILESCCSc1ccc(C(NN)c2cccc3ccsc23)cc1
InChIInChI=1S/C17H18N2S2/c1-2-20-14-8-6-12(7-9-14)16(19-18)15-5-3-4-13-10-11-21-17(13)15/h3-11,16,19H,2,18H2,1H3
InChIKeyWKAONVFNEOMZSC-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.57
Rot. Bonds5

About [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine

[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine (PubChem CID 106850395) has the molecular formula C17H18N2S2 and a molecular weight of 314.48 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine
PubChem CID106850395
Molecular FormulaC17H18N2S2
Molecular Weight314.48 g/mol
Exact Mass314.09
IUPAC Name[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine
SMILESCCSc1ccc(C(NN)c2cccc3ccsc23)cc1
InChIInChI=1S/C17H18N2S2/c1-2-20-14-8-6-12(7-9-14)16(19-18)15-5-3-4-13-10-11-21-17(13)15/h3-11,16,19H,2,18H2,1H3
InChIKeyWKAONVFNEOMZSC-UHFFFAOYSA-N
XLogP4.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.57
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-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105327711
[1-benzothiophen-7-yl-(3-fluoro-4-methylphenyl)methyl]hydrazine
CID 105201464
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103781
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(1-methylpyrazol-4-yl)methyl]hydrazine
CID 105228332
1-(1-benzothiophen-7-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 105021870
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl(thiadiazol-4-yl)methyl]hydrazine
CID 105327655

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine (CID 106850395) is [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine is CCSc1ccc(C(NN)c2cccc3ccsc23)cc1.
What is the InChIKey of [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine?
The InChIKey is WKAONVFNEOMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2S2/c1-2-20-14-8-6-12(7-9-14)16(19-18)15-5-3-4-13-10-11-21-17(13)15/h3-11,16,19H,2,18H2,1H3.
What are the key properties of [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine?
[1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine has a molecular weight of 314.48 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(4-ethylsulfanylphenyl)methyl]hydrazine is sourced from PubChem (CID 106850395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).