[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

C15H17ClN2S — CID 105287303

IUPAC[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2S/c16-12-7-3-2-6-11(12)15(18-17)14-9-10-5-1-4-8-13(10)19-14/h2-3,6-7,9,15,18H,1,4-5,8,17H2
InChIKeyXISZXYOKKPHQMM-UHFFFAOYSA-N
MW292.83 g/mol
LogP3.83
Rot. Bonds3

About [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine

[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (PubChem CID 105287303) has the molecular formula C15H17ClN2S and a molecular weight of 292.83 g/mol. Its IUPAC name is [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
PubChem CID105287303
Molecular FormulaC15H17ClN2S
Molecular Weight292.83 g/mol
Exact Mass292.08
IUPAC Name[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
SMILESNNC(c1cc2c(s1)CCCC2)c1ccccc1Cl
InChIInChI=1S/C15H17ClN2S/c16-12-7-3-2-6-11(12)15(18-17)14-9-10-5-1-4-8-13(10)19-14/h2-3,6-7,9,15,18H,1,4-5,8,17H2
InChIKeyXISZXYOKKPHQMM-UHFFFAOYSA-N
XLogP3.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 53.83
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

[(4-chloro-2-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105328328
[4,5,6,7-tetrahydro-1-benzothiophen-2-yl-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105312827
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 107562528
[(2-fluoro-3-methoxyphenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 105329255
[2-(2,3-dichlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 107312914
3-amino-2-(2-chlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)propan-1-ol
CID 65185014
[(4-methyl-3-pyridinyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 105320479
[2-(2,6-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]hydrazine
CID 105293121
1-(2-chlorophenyl)-1-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)-N-methylmethanamine
CID 115801117
1-(2-methoxyphenyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115793274
[2-(4-chlorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]hydrazine
CID 105283232
[2,3-dihydrofuran-5-yl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine
CID 102654422

Frequently Asked Questions

What is the IUPAC name of [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine (CID 105287303) is [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is NNC(c1cc2c(s1)CCCC2)c1ccccc1Cl.
What is the InChIKey of [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
The InChIKey is XISZXYOKKPHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2S/c16-12-7-3-2-6-11(12)15(18-17)14-9-10-5-1-4-8-13(10)19-14/h2-3,6-7,9,15,18H,1,4-5,8,17H2.
What are the key properties of [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine?
[(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine has a molecular weight of 292.83 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-chlorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 105287303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).