2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide

C17H20N2OS — CID 105352343

IUPAC2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1ccc(SCc2ccc(CC(=O)NN)cc2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-12-3-8-16(13(2)9-12)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyHSTUGUXYGCIBRX-UHFFFAOYSA-N
MW300.43 g/mol
LogP3.13
Rot. Bonds5

About 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide

2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide (PubChem CID 105352343) has the molecular formula C17H20N2OS and a molecular weight of 300.43 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
PubChem CID105352343
Molecular FormulaC17H20N2OS
Molecular Weight300.43 g/mol
Exact Mass300.13
IUPAC Name2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide
SMILESCc1ccc(SCc2ccc(CC(=O)NN)cc2)c(C)c1
InChIInChI=1S/C17H20N2OS/c1-12-3-8-16(13(2)9-12)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20)
InChIKeyHSTUGUXYGCIBRX-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438735
2-[4-[(2-fluorophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352338
2-[4-[(2-amino-5-bromophenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352521
2-(2-amino-4-methylphenyl)sulfanylacetohydrazide
CID 63582750
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 155375566
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]acetohydrazide
CID 105352545
N-[(2S)-1-aminopropan-2-yl]-3-[(2,4-dimethylphenyl)sulfanylmethyl]benzamide
CID 120505513
2-[4-[2-(3,4-dimethylphenyl)ethyl]phenyl]acetohydrazide
CID 58181343
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
methyl 3-(2,4-dimethylphenyl)sulfanyl-2,2-dimethylpropanoate
CID 79628860
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63484975

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide (CID 105352343) is 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide is Cc1ccc(SCc2ccc(CC(=O)NN)cc2)c(C)c1.
What is the InChIKey of 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide?
The InChIKey is HSTUGUXYGCIBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2OS/c1-12-3-8-16(13(2)9-12)21-11-15-6-4-14(5-7-15)10-17(20)19-18/h3-9H,10-11,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide?
2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide has a molecular weight of 300.43 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]acetohydrazide is sourced from PubChem (CID 105352343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).