1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine

C16H19BrN2S — CID 144933277

IUPAC1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cc(Br)ccc1SCc1c(C)cccc1N(C)N
InChIInChI=1S/C16H19BrN2S/c1-11-5-4-6-15(19(3)18)14(11)10-20-16-8-7-13(17)9-12(16)2/h4-9H,10,18H2,1-3H3
InChIKeySQIHBUHUNGRGFH-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.67
Rot. Bonds4

About 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine

1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine (PubChem CID 144933277) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine.

Molecular Properties

Compound Name1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine
PubChem CID144933277
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine
SMILESCc1cc(Br)ccc1SCc1c(C)cccc1N(C)N
InChIInChI=1S/C16H19BrN2S/c1-11-5-4-6-15(19(3)18)14(11)10-20-16-8-7-13(17)9-12(16)2/h4-9H,10,18H2,1-3H3
InChIKeySQIHBUHUNGRGFH-UHFFFAOYSA-N
XLogP4.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-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

1-[2-[[4-(3,4-dimethyl-1,5-dihydropyrazol-2-yl)-2-methylphenyl]sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine;formohydrazide
CID 144933298
1-[2-[(5-bromo-2-methoxyphenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 144934022
1-[[2-[amino(methyl)amino]-6-methylphenyl]methylsulfanyl]-1-methylsulfanyl-N-propan-2-ylmethanimine
CID 166669433
1,3-diamino-1-[3-methyl-2-[(2-methyl-4-pyridin-2-ylphenyl)sulfanylmethyl]phenyl]urea
CID 126517247
4-[(4-bromo-2-fluorophenyl)methylsulfanyl]-3-methylaniline
CID 43381971
4-[(5-bromo-2-fluorophenyl)methylsulfanyl]-3-methylaniline
CID 43303307
1-[2-[(5-bromo-1,3-thiazol-2-yl)oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 155236368
1-[2-[(5-chloro-2-fluorophenyl)sulfanylmethyl]-3-cyclopropylphenyl]-1-methylhydrazine
CID 144933230
4-bromo-1-hydroxysulfanyl-2-methylbenzene
CID 175413472
1,3-diamino-1-[2-[[4-(3,5-dimethylpyrazol-1-yl)-2,5-dimethylphenyl]sulfanylmethyl]-3-methylphenyl]urea
CID 144933228
2-(4-bromo-2-methylphenyl)sulfanyl-N-(2-methylphenyl)acetamide
CID 9342244
2-(aminomethyl)-4-bromo-N-methyl-N-[(2-methylphenyl)methyl]aniline
CID 114889484

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine?
The IUPAC name of 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine (CID 144933277) is 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine.
What is the SMILES notation for 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine?
The canonical SMILES for 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine is Cc1cc(Br)ccc1SCc1c(C)cccc1N(C)N.
What is the InChIKey of 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine?
The InChIKey is SQIHBUHUNGRGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-11-5-4-6-15(19(3)18)14(11)10-20-16-8-7-13(17)9-12(16)2/h4-9H,10,18H2,1-3H3.
What are the key properties of 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine?
1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine has a molecular weight of 351.31 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-2-methylphenyl)sulfanylmethyl]-3-methylphenyl]-1-methylhydrazine is sourced from PubChem (CID 144933277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).