(2-bromo-6-methylsulfanylphenyl)hydrazine

C7H9BrN2S — CID 131212984

IUPAC(2-bromo-6-methylsulfanylphenyl)hydrazine
SMILESCSc1cccc(Br)c1NN
InChIInChI=1S/C7H9BrN2S/c1-11-6-4-2-3-5(8)7(6)10-9/h2-4,10H,9H2,1H3
InChIKeyQVRLXTRMIBTVKW-UHFFFAOYSA-N
MW233.13 g/mol
LogP2.46
Rot. Bonds2

About (2-bromo-6-methylsulfanylphenyl)hydrazine

(2-bromo-6-methylsulfanylphenyl)hydrazine (PubChem CID 131212984) has the molecular formula C7H9BrN2S and a molecular weight of 233.13 g/mol. Its IUPAC name is (2-bromo-6-methylsulfanylphenyl)hydrazine.

Molecular Properties

Compound Name(2-bromo-6-methylsulfanylphenyl)hydrazine
PubChem CID131212984
Molecular FormulaC7H9BrN2S
Molecular Weight233.13 g/mol
Exact Mass231.97
IUPAC Name(2-bromo-6-methylsulfanylphenyl)hydrazine
SMILESCSc1cccc(Br)c1NN
InChIInChI=1S/C7H9BrN2S/c1-11-6-4-2-3-5(8)7(6)10-9/h2-4,10H,9H2,1H3
InChIKeyQVRLXTRMIBTVKW-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.13
LogP ≤ 52.46
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

1-bromo-2-iodo-3-methylsulfanylbenzene
CID 91881110
(2-bromo-6-chlorophenyl)hydrazine;dihydrochloride
CID 122163720
1-bromo-2-methoxy-3-methylsulfanylbenzene
CID 91880733
2-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404152
methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-bromo-6-methylsulfanylbenzoate
CID 91880735
3-(2-bromo-6-methylsulfanylphenyl)propan-1-amine
CID 117404148
4-(2-bromo-6-methylsulfanylphenyl)butan-1-amine
CID 117437841
2-bromo-6-methylsulfanylbenzenecarboximidamide
CID 114884401
N-(2-methyl-6-methylsulfanylphenyl)hydroxylamine
CID 134481194
1-(2-bromo-6-methylsulfanylphenyl)-2,2-dichloroethanol
CID 164892735
2-bromo-6-fluoro-N-(3-methylsulfanylpropyl)aniline
CID 107597873

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-methylsulfanylphenyl)hydrazine?
The IUPAC name of (2-bromo-6-methylsulfanylphenyl)hydrazine (CID 131212984) is (2-bromo-6-methylsulfanylphenyl)hydrazine.
What is the SMILES notation for (2-bromo-6-methylsulfanylphenyl)hydrazine?
The canonical SMILES for (2-bromo-6-methylsulfanylphenyl)hydrazine is CSc1cccc(Br)c1NN.
What is the InChIKey of (2-bromo-6-methylsulfanylphenyl)hydrazine?
The InChIKey is QVRLXTRMIBTVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2S/c1-11-6-4-2-3-5(8)7(6)10-9/h2-4,10H,9H2,1H3.
What are the key properties of (2-bromo-6-methylsulfanylphenyl)hydrazine?
(2-bromo-6-methylsulfanylphenyl)hydrazine has a molecular weight of 233.13 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-methylsulfanylphenyl)hydrazine is sourced from PubChem (CID 131212984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).