N',N'-diphenyl-3-sulfanylpropanehydrazide

C15H16N2OS — CID 57182310

IUPACN',N'-diphenyl-3-sulfanylpropanehydrazide
SMILESO=C(CCS)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-15(11-12-19)16-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,16,18)
InChIKeySEFYXKFTAIVGSG-UHFFFAOYSA-N
MW272.37 g/mol
LogP3.18
Rot. Bonds5

About N',N'-diphenyl-3-sulfanylpropanehydrazide

N',N'-diphenyl-3-sulfanylpropanehydrazide (PubChem CID 57182310) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is N',N'-diphenyl-3-sulfanylpropanehydrazide.

Molecular Properties

Compound NameN',N'-diphenyl-3-sulfanylpropanehydrazide
PubChem CID57182310
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC NameN',N'-diphenyl-3-sulfanylpropanehydrazide
SMILESO=C(CCS)NN(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H16N2OS/c18-15(11-12-19)16-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,16,18)
InChIKeySEFYXKFTAIVGSG-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-diphenyl-3-sulfanylpropanehydrazide?
The IUPAC name of N',N'-diphenyl-3-sulfanylpropanehydrazide (CID 57182310) is N',N'-diphenyl-3-sulfanylpropanehydrazide.
What is the SMILES notation for N',N'-diphenyl-3-sulfanylpropanehydrazide?
The canonical SMILES for N',N'-diphenyl-3-sulfanylpropanehydrazide is O=C(CCS)NN(c1ccccc1)c1ccccc1.
What is the InChIKey of N',N'-diphenyl-3-sulfanylpropanehydrazide?
The InChIKey is SEFYXKFTAIVGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c18-15(11-12-19)16-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,16,18).
What are the key properties of N',N'-diphenyl-3-sulfanylpropanehydrazide?
N',N'-diphenyl-3-sulfanylpropanehydrazide has a molecular weight of 272.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diphenyl-3-sulfanylpropanehydrazide is sourced from PubChem (CID 57182310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).