[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine

C12H12BrClN2S2 — CID 105237821

IUPAC[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1cccc(Cl)c1)c1cscc1Br
InChIInChI=1S/C12H12BrClN2S2/c13-11-6-17-5-10(11)12(16-15)7-18-9-3-1-2-8(14)4-9/h1-6,12,16H,7,15H2
InChIKeyKLRLTZOOSGEKCS-UHFFFAOYSA-N
MW363.73 g/mol
LogP4.46
Rot. Bonds5

About [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine

[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine (PubChem CID 105237821) has the molecular formula C12H12BrClN2S2 and a molecular weight of 363.73 g/mol. Its IUPAC name is [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine
PubChem CID105237821
Molecular FormulaC12H12BrClN2S2
Molecular Weight363.73 g/mol
Exact Mass361.93
IUPAC Name[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine
SMILESNNC(CSc1cccc(Cl)c1)c1cscc1Br
InChIInChI=1S/C12H12BrClN2S2/c13-11-6-17-5-10(11)12(16-15)7-18-9-3-1-2-8(14)4-9/h1-6,12,16H,7,15H2
InChIKeyKLRLTZOOSGEKCS-UHFFFAOYSA-N
XLogP4.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.73
LogP ≤ 54.46
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

[2-(4-bromophenyl)sulfanyl-1-(4-bromothiophen-3-yl)ethyl]hydrazine
CID 105235884
[2-(3-chlorophenyl)sulfanyl-1-(4-fluorophenyl)ethyl]hydrazine
CID 105237907
[2-(3-chlorophenyl)sulfanyl-1-(2-ethoxyphenyl)ethyl]hydrazine
CID 105237797
[2-(3-chlorophenyl)sulfanyl-1-(3-ethoxyphenyl)ethyl]hydrazine
CID 105237806
[2-(3-bromophenyl)sulfanyl-1-(2-chloro-5-fluorophenyl)ethyl]hydrazine
CID 105397876
1-(3-chlorophenyl)sulfanylbutan-2-ylhydrazine
CID 105237904
[2-(3-chlorophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105237899
[1-(3-chlorophenyl)sulfanyl-3,3-dimethylbutan-2-yl]hydrazine
CID 105237970
1-(3-chlorophenyl)-2-(3-chlorophenyl)sulfanyl-N-ethylethanamine
CID 66148934
1-(3-bromo-4-methylphenyl)-2-(3-chlorophenyl)sulfanylethanol
CID 107915663
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272
1-(4-bromo-3-chloro-2-fluorophenyl)-2-(3-chlorophenyl)sulfanylethanamine
CID 106762672

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine (CID 105237821) is [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine is NNC(CSc1cccc(Cl)c1)c1cscc1Br.
What is the InChIKey of [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine?
The InChIKey is KLRLTZOOSGEKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2S2/c13-11-6-17-5-10(11)12(16-15)7-18-9-3-1-2-8(14)4-9/h1-6,12,16H,7,15H2.
What are the key properties of [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine?
[1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine has a molecular weight of 363.73 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-3-yl)-2-(3-chlorophenyl)sulfanylethyl]hydrazine is sourced from PubChem (CID 105237821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).