[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine

C17H21BrN2S — CID 105235891

IUPAC[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CSc2ccc(Br)cc2)NN)c1
InChIInChI=1S/C17H21BrN2S/c1-12-3-4-13(2)14(9-12)10-16(20-19)11-21-17-7-5-15(18)6-8-17/h3-9,16,20H,10-11,19H2,1-2H3
InChIKeyYJWKXMGKLZLYFE-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.23
Rot. Bonds6

About [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine

[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine (PubChem CID 105235891) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
PubChem CID105235891
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
SMILESCc1ccc(C)c(CC(CSc2ccc(Br)cc2)NN)c1
InChIInChI=1S/C17H21BrN2S/c1-12-3-4-13(2)14(9-12)10-16(20-19)11-21-17-7-5-15(18)6-8-17/h3-9,16,20H,10-11,19H2,1-2H3
InChIKeyYJWKXMGKLZLYFE-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.23
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-(2-methylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236924
[1-(4-bromo-2-chlorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105335288
[1-(2,6-dimethylphenyl)-3-(4-methylphenyl)sulfanylpropan-2-yl]hydrazine
CID 105236961
[1-(4-bromophenyl)sulfanyl-5-methylhexan-2-yl]hydrazine
CID 105235845
[1-(2-bromo-5-fluorophenyl)-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine
CID 105297115
[1-(4-bromophenyl)sulfanyl-5,5-dimethylhexan-2-yl]hydrazine
CID 105235987
[1-(2,5-dimethylphenyl)-4-ethylhexan-2-yl]hydrazine
CID 105331170
[1-(2,5-dimethylphenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105205901
[1-(2-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-yl]hydrazine
CID 105377848
2-[2-(4-bromophenyl)-2-chloroethyl]-1,4-dimethylbenzene
CID 55219227
[1-(4-bromo-3,5-dimethylphenyl)-2-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105279428
1-(4-bromophenyl)sulfanyl-3-(5-fluoro-2-methylphenyl)propan-2-ol
CID 105373485

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine (CID 105235891) is [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine is Cc1ccc(C)c(CC(CSc2ccc(Br)cc2)NN)c1.
What is the InChIKey of [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
The InChIKey is YJWKXMGKLZLYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-12-3-4-13(2)14(9-12)10-16(20-19)11-21-17-7-5-15(18)6-8-17/h3-9,16,20H,10-11,19H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine?
[1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine has a molecular weight of 365.34 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)sulfanyl-3-(2,5-dimethylphenyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105235891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).