[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine

C16H15ClN2S — CID 107103781

IUPAC[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
SMILESCc1c(Cl)cccc1C(NN)c1cccc2ccsc12
InChIInChI=1S/C16H15ClN2S/c1-10-12(5-3-7-14(10)17)15(19-18)13-6-2-4-11-8-9-20-16(11)13/h2-9,15,19H,18H2,1H3
InChIKeyRUNRQZJBMLJKFY-UHFFFAOYSA-N
MW302.83 g/mol
LogP4.42
Rot. Bonds3

About [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine

[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine (PubChem CID 107103781) has the molecular formula C16H15ClN2S and a molecular weight of 302.83 g/mol. Its IUPAC name is [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine.

Molecular Properties

Compound Name[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
PubChem CID107103781
Molecular FormulaC16H15ClN2S
Molecular Weight302.83 g/mol
Exact Mass302.06
IUPAC Name[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine
SMILESCc1c(Cl)cccc1C(NN)c1cccc2ccsc12
InChIInChI=1S/C16H15ClN2S/c1-10-12(5-3-7-14(10)17)15(19-18)13-6-2-4-11-8-9-20-16(11)13/h2-9,15,19H,18H2,1H3
InChIKeyRUNRQZJBMLJKFY-UHFFFAOYSA-N
XLogP4.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 54.42
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

1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methanamine
CID 107102914
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[1-benzothiophen-7-yl-(3-bromo-2-chlorophenyl)methyl]hydrazine
CID 105327736
[1-benzothiophen-7-yl-(3-methylthiophen-2-yl)methyl]hydrazine
CID 105327742
[1-benzothiophen-7-yl-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105327697
[(3-chloro-2-methylphenyl)-(2,3-dichlorophenyl)methyl]hydrazine
CID 107103660
1-(1-benzothiophen-7-yl)-1-(2,3-dichlorophenyl)-N-methylmethanamine
CID 105021929
[1-benzothiophen-7-yl-(2,3-difluorophenyl)methyl]hydrazine
CID 105327729
[1-benzothiophen-7-yl-(4-fluorophenyl)methyl]hydrazine
CID 105192643
[1-benzothiophen-7-yl-(4-methylsulfanylphenyl)methyl]hydrazine
CID 105327731
[1-benzothiophen-7-yl-(4-bromo-3-chlorophenyl)methyl]hydrazine
CID 105327711
[1-benzothiophen-7-yl-(1,3-dimethylpyrazol-4-yl)methyl]hydrazine
CID 102805130

Frequently Asked Questions

What is the IUPAC name of [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine?
The IUPAC name of [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine (CID 107103781) is [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine.
What is the SMILES notation for [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine?
The canonical SMILES for [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine is Cc1c(Cl)cccc1C(NN)c1cccc2ccsc12.
What is the InChIKey of [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine?
The InChIKey is RUNRQZJBMLJKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2S/c1-10-12(5-3-7-14(10)17)15(19-18)13-6-2-4-11-8-9-20-16(11)13/h2-9,15,19H,18H2,1H3.
What are the key properties of [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine?
[1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine has a molecular weight of 302.83 g/mol, XLogP of 4.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzothiophen-7-yl-(3-chloro-2-methylphenyl)methyl]hydrazine is sourced from PubChem (CID 107103781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).