[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine

C13H15ClN2S2 — CID 105228223

IUPAC[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2S2/c14-13-7-6-12(18-13)8-10(16-15)9-17-11-4-2-1-3-5-11/h1-7,10,16H,8-9,15H2
InChIKeyHXUXURMFPIJRRY-UHFFFAOYSA-N
MW298.86 g/mol
LogP3.57
Rot. Bonds6

About [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine

[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine (PubChem CID 105228223) has the molecular formula C13H15ClN2S2 and a molecular weight of 298.86 g/mol. Its IUPAC name is [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
PubChem CID105228223
Molecular FormulaC13H15ClN2S2
Molecular Weight298.86 g/mol
Exact Mass298.04
IUPAC Name[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine
SMILESNNC(CSc1ccccc1)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN2S2/c14-13-7-6-12(18-13)8-10(16-15)9-17-11-4-2-1-3-5-11/h1-7,10,16H,8-9,15H2
InChIKeyHXUXURMFPIJRRY-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 53.57
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-(3-chloro-2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 102867810
[1-(5-chlorothiophen-2-yl)-3-naphthalen-2-ylpropan-2-yl]hydrazine
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[1-(2-fluorophenyl)-3-phenylsulfanylpropan-2-yl]hydrazine
CID 105228097
[1-(5-chlorothiophen-2-yl)-4-methylsulfanylbutan-2-yl]hydrazine
CID 105295965
3-(5-chlorothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244888
1-(2-chlorophenyl)sulfanyl-3-(5-chlorothiophen-2-yl)-N-ethylpropan-2-amine
CID 66139408
1-(5-chlorothiophen-2-yl)-3-(3-fluorophenyl)sulfanyl-N-propylpropan-2-amine
CID 66071861
[1-(5-chlorothiophen-2-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105296073
2-[2-(5-chlorothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105223951
[1-(2-bromophenyl)sulfanyl-3-(5-bromothiophen-2-yl)propan-2-yl]hydrazine
CID 105238033
1-(5-bromothiophen-2-yl)-N-ethyl-3-phenylsulfanylpropan-2-amine
CID 65143756
[3-(5-chlorothiophen-2-yl)-1-ethoxy-1-phenylpropan-2-yl]hydrazine
CID 105279353

Frequently Asked Questions

What is the IUPAC name of [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The IUPAC name of [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine (CID 105228223) is [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine is NNC(CSc1ccccc1)Cc1ccc(Cl)s1.
What is the InChIKey of [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
The InChIKey is HXUXURMFPIJRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2S2/c14-13-7-6-12(18-13)8-10(16-15)9-17-11-4-2-1-3-5-11/h1-7,10,16H,8-9,15H2.
What are the key properties of [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine?
[1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine has a molecular weight of 298.86 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-chlorothiophen-2-yl)-3-phenylsulfanylpropan-2-yl]hydrazine is sourced from PubChem (CID 105228223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).