1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine

C12H13BrN2OS — CID 144838750

IUPAC1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(Br)c1SCc1ccco1
InChIInChI=1S/C12H13BrN2OS/c1-15(14)11-6-2-5-10(13)12(11)17-8-9-4-3-7-16-9/h2-7H,8,14H2,1H3
InChIKeyZIVFCFSBVCSEIK-UHFFFAOYSA-N
MW313.22 g/mol
LogP3.64
Rot. Bonds4

About 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine

1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine (PubChem CID 144838750) has the molecular formula C12H13BrN2OS and a molecular weight of 313.22 g/mol. Its IUPAC name is 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
PubChem CID144838750
Molecular FormulaC12H13BrN2OS
Molecular Weight313.22 g/mol
Exact Mass311.99
IUPAC Name1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine
SMILESCN(N)c1cccc(Br)c1SCc1ccco1
InChIInChI=1S/C12H13BrN2OS/c1-15(14)11-6-2-5-10(13)12(11)17-8-9-4-3-7-16-9/h2-7H,8,14H2,1H3
InChIKeyZIVFCFSBVCSEIK-UHFFFAOYSA-N
XLogP3.64
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine 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

2-bromo-6-(furan-2-ylmethylsulfanyl)benzoic acid
CID 114888767
3-bromo-2-[[furan-2-ylmethyl(methyl)amino]methyl]aniline
CID 43526581
2-(2-bromophenyl)-2-(furan-2-ylmethylsulfanyl)ethanamine
CID 55021927
3-amino-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 112580051
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
5-bromo-2-(furan-2-ylmethylsulfanyl)-4-methoxypyrimidine
CID 106999439
1-[5-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]propan-2-amine
CID 114062128
[3-bromo-5-(furan-2-ylmethylsulfanyl)phenyl]methanamine
CID 102818582
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
CID 173213846
3-fluoro-2-(furan-2-ylmethylsulfanyl)benzoic acid
CID 62648594
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064

Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The IUPAC name of 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine (CID 144838750) is 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The canonical SMILES for 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine is CN(N)c1cccc(Br)c1SCc1ccco1.
What is the InChIKey of 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
The InChIKey is ZIVFCFSBVCSEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2OS/c1-15(14)11-6-2-5-10(13)12(11)17-8-9-4-3-7-16-9/h2-7H,8,14H2,1H3.
What are the key properties of 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine?
1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine has a molecular weight of 313.22 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-2-(furan-2-ylmethylsulfanyl)phenyl]-1-methylhydrazine is sourced from PubChem (CID 144838750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).