[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine

C9H13BrN2S3 — CID 105249432

IUPAC[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1sccc1Br)C1CSCCS1
InChIInChI=1S/C9H13BrN2S3/c10-6-1-2-15-9(6)8(12-11)7-5-13-3-4-14-7/h1-2,7-8,12H,3-5,11H2
InChIKeyFFEVUMNWXCIXTQ-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.86
Rot. Bonds3

About [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine

[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine (PubChem CID 105249432) has the molecular formula C9H13BrN2S3 and a molecular weight of 325.32 g/mol. Its IUPAC name is [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
PubChem CID105249432
Molecular FormulaC9H13BrN2S3
Molecular Weight325.32 g/mol
Exact Mass323.94
IUPAC Name[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
SMILESNNC(c1sccc1Br)C1CSCCS1
InChIInChI=1S/C9H13BrN2S3/c10-6-1-2-15-9(6)8(12-11)7-5-13-3-4-14-7/h1-2,7-8,12H,3-5,11H2
InChIKeyFFEVUMNWXCIXTQ-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-bromofuran-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249455
[(5-bromo-2-fluorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249350
[1,4-dithian-2-yl-(4-methoxyphenyl)methyl]hydrazine
CID 105249296
[(2-chlorophenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249146
[(3-bromothiophen-2-yl)-(3-methyloxolan-2-yl)methyl]hydrazine
CID 105327960
[1,4-dithian-2-yl(pyrimidin-5-yl)methyl]hydrazine
CID 105249199
[(4-cyclopropyloxyphenyl)-(1,4-dithian-2-yl)methyl]hydrazine
CID 105249218
N-[1-(3-bromothiophen-2-yl)ethyl]thiolan-3-amine
CID 103902688
[1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]hydrazine
CID 105265250
[1,4-dithian-2-yl-(3-fluoro-5-methylphenyl)methyl]hydrazine
CID 105249449
[1-(3-bromothiophen-2-yl)-2-(thian-4-yl)ethyl]hydrazine
CID 105327985
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanol
CID 107359583

Frequently Asked Questions

What is the IUPAC name of [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The IUPAC name of [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine (CID 105249432) is [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine is NNC(c1sccc1Br)C1CSCCS1.
What is the InChIKey of [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
The InChIKey is FFEVUMNWXCIXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2S3/c10-6-1-2-15-9(6)8(12-11)7-5-13-3-4-14-7/h1-2,7-8,12H,3-5,11H2.
What are the key properties of [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine?
[(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine has a molecular weight of 325.32 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromothiophen-2-yl)-(1,4-dithian-2-yl)methyl]hydrazine is sourced from PubChem (CID 105249432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).