[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine

C12H11Br2ClN2S — CID 107562588

IUPAC[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc(Br)c(Br)s2)cc1Cl
InChIInChI=1S/C12H11Br2ClN2S/c1-6-2-3-7(4-9(6)15)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3
InChIKeyMUSZAUORIXDZBQ-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.79
Rot. Bonds3

About [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine

[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine (PubChem CID 107562588) has the molecular formula C12H11Br2ClN2S and a molecular weight of 410.56 g/mol. Its IUPAC name is [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
PubChem CID107562588
Molecular FormulaC12H11Br2ClN2S
Molecular Weight410.56 g/mol
Exact Mass407.87
IUPAC Name[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine
SMILESCc1ccc(C(NN)c2cc(Br)c(Br)s2)cc1Cl
InChIInChI=1S/C12H11Br2ClN2S/c1-6-2-3-7(4-9(6)15)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3
InChIKeyMUSZAUORIXDZBQ-UHFFFAOYSA-N
XLogP4.79
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.79
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

[(3-chloro-4-methylphenyl)-(4,5-dimethylthiophen-2-yl)methyl]hydrazine
CID 107562559
1-(4-bromo-5-methylthiophen-2-yl)-1-(3-chloro-4-methylphenyl)-N-methylmethanamine
CID 102827397
[(2-bromophenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562324
[(2-bromo-5-chlorophenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 114027467
[(5-bromo-4-methylthiophen-2-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105304993
N-[(4-bromo-5-chlorothiophen-2-yl)-(3-chloro-4-methylphenyl)methyl]ethanamine
CID 102828588
[(3-chloro-4-methylphenyl)-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)methyl]hydrazine
CID 107562528
[(4,5-dibromothiophen-2-yl)-(5-methylthiophen-2-yl)methyl]hydrazine
CID 105318815
[(3-chloro-4-methylphenyl)-(6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl)methyl]hydrazine
CID 107562677
[(3-bromo-2-pyridinyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 107562462
[(3-chloro-4-methylphenyl)-(4-methoxythiophen-2-yl)methyl]hydrazine
CID 107562678
[(4-tert-butylphenyl)-(3-chloro-4-methylphenyl)methyl]hydrazine
CID 105300392

Frequently Asked Questions

What is the IUPAC name of [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The IUPAC name of [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine (CID 107562588) is [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine.
What is the SMILES notation for [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The canonical SMILES for [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine is Cc1ccc(C(NN)c2cc(Br)c(Br)s2)cc1Cl.
What is the InChIKey of [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
The InChIKey is MUSZAUORIXDZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2ClN2S/c1-6-2-3-7(4-9(6)15)11(17-16)10-5-8(13)12(14)18-10/h2-5,11,17H,16H2,1H3.
What are the key properties of [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine?
[(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine has a molecular weight of 410.56 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-chloro-4-methylphenyl)-(4,5-dibromothiophen-2-yl)methyl]hydrazine is sourced from PubChem (CID 107562588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).