2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide

C12H18N2OS — CID 105352360

IUPAC2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
SMILESCCSCc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C12H18N2OS/c1-3-16-8-10-4-6-11(7-5-10)9(2)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyUPHNDFBVPALNAL-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.03
Rot. Bonds5

About 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide

2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide (PubChem CID 105352360) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide.

Molecular Properties

Compound Name2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
PubChem CID105352360
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide
SMILESCCSCc1ccc(C(C)C(=O)NN)cc1
InChIInChI=1S/C12H18N2OS/c1-3-16-8-10-4-6-11(7-5-10)9(2)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyUPHNDFBVPALNAL-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.03
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

2-[4-(pentylsulfanylmethyl)phenyl]propanehydrazide
CID 107760947
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
2-[4-[(4-chlorophenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352324
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
2-[4-[(3-hydroxyphenyl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352546
2-[4-(pyrazin-2-ylsulfanylmethyl)phenyl]propanehydrazide
CID 105352320
2-[4-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanylmethyl]phenyl]propanehydrazide
CID 105352433
2-[4-(3-methylbutan-2-yloxymethyl)phenyl]propanehydrazide
CID 105351558
2-[4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenyl]propanehydrazide
CID 105351961
2-[4-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]propanehydrazide
CID 105351973
2-[4-[(3-ethyl-2-oxoimidazol-1-yl)methyl]phenyl]propanehydrazide
CID 105352291
2-[4-[[cyclopropyl(ethyl)amino]methyl]phenyl]propanehydrazide
CID 105351675

Frequently Asked Questions

What is the IUPAC name of 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide?
The IUPAC name of 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide (CID 105352360) is 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide.
What is the SMILES notation for 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide?
The canonical SMILES for 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide is CCSCc1ccc(C(C)C(=O)NN)cc1.
What is the InChIKey of 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide?
The InChIKey is UPHNDFBVPALNAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-3-16-8-10-4-6-11(7-5-10)9(2)12(15)14-13/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide?
2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide has a molecular weight of 238.36 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(ethylsulfanylmethyl)phenyl]propanehydrazide is sourced from PubChem (CID 105352360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).