[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine

C14H17BrN2S2 — CID 105238327

IUPAC[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccs1)CSc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S2/c15-11-3-1-4-14(9-11)19-10-12(17-16)6-7-13-5-2-8-18-13/h1-5,8-9,12,17H,6-7,10,16H2
InChIKeyNUBRJOOKAGUEPJ-UHFFFAOYSA-N
MW357.34 g/mol
LogP4.07
Rot. Bonds7

About [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine

[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine (PubChem CID 105238327) has the molecular formula C14H17BrN2S2 and a molecular weight of 357.34 g/mol. Its IUPAC name is [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
PubChem CID105238327
Molecular FormulaC14H17BrN2S2
Molecular Weight357.34 g/mol
Exact Mass356.00
IUPAC Name[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccs1)CSc1cccc(Br)c1
InChIInChI=1S/C14H17BrN2S2/c15-11-3-1-4-14(9-11)19-10-12(17-16)6-7-13-5-2-8-18-13/h1-5,8-9,12,17H,6-7,10,16H2
InChIKeyNUBRJOOKAGUEPJ-UHFFFAOYSA-N
XLogP4.07
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 54.07
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-bromophenyl)sulfanylhexan-2-ylhydrazine
CID 105238265
[1-(3-bromophenyl)sulfanyl-6,6,6-trifluorohexan-2-yl]hydrazine
CID 105238354
[1-(3-bromophenyl)sulfanyl-4-ethylhexan-2-yl]hydrazine
CID 105238478
(1-butan-2-ylsulfanyl-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105227079
N-ethyl-1-phenylsulfanyl-4-thiophen-2-ylbutan-2-amine
CID 65143428
[1-(3-bromophenyl)sulfanyl-3-(4-iodophenyl)propan-2-yl]hydrazine
CID 105238369
2-(3-bromophenyl)sulfanyl-1-thiophen-2-ylethanol
CID 63102586
[1-(6-bromonaphthalen-2-yl)-3-thiophen-2-ylpropyl]hydrazine
CID 105308962
(1-cyclohexylsulfanyl-4-thiophen-2-ylbutan-2-yl)hydrazine
CID 105227750
[1-(3-bromophenyl)sulfanyl-3-(2-chlorophenyl)propan-2-yl]hydrazine
CID 105238390
[1-(3-bromophenyl)sulfanyl-4-ethyloctan-2-yl]hydrazine
CID 105238335
[2-(3-bromophenyl)sulfanyl-1-phenylethyl]hydrazine
CID 105238272

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine (CID 105238327) is [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine is NNC(CCc1cccs1)CSc1cccc(Br)c1.
What is the InChIKey of [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine?
The InChIKey is NUBRJOOKAGUEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2S2/c15-11-3-1-4-14(9-11)19-10-12(17-16)6-7-13-5-2-8-18-13/h1-5,8-9,12,17H,6-7,10,16H2.
What are the key properties of [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine?
[1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine has a molecular weight of 357.34 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)sulfanyl-4-thiophen-2-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105238327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).