N-benzyl-N'-phenylethanethiohydrazide

C15H16N2S — CID 154264206

IUPACN-benzyl-N'-phenylethanethiohydrazide
SMILESCC(=S)N(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H16N2S/c1-13(18)17(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyYADQFVSGJBBHDV-UHFFFAOYSA-N
MW256.37 g/mol
LogP3.86
Rot. Bonds4

About N-benzyl-N'-phenylethanethiohydrazide

N-benzyl-N'-phenylethanethiohydrazide (PubChem CID 154264206) has the molecular formula C15H16N2S and a molecular weight of 256.37 g/mol. Its IUPAC name is N-benzyl-N'-phenylethanethiohydrazide.

Molecular Properties

Compound NameN-benzyl-N'-phenylethanethiohydrazide
PubChem CID154264206
Molecular FormulaC15H16N2S
Molecular Weight256.37 g/mol
Exact Mass256.10
IUPAC NameN-benzyl-N'-phenylethanethiohydrazide
SMILESCC(=S)N(Cc1ccccc1)Nc1ccccc1
InChIInChI=1S/C15H16N2S/c1-13(18)17(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3
InChIKeyYADQFVSGJBBHDV-UHFFFAOYSA-N
XLogP3.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-1-ethyl-3-phenylthiourea
CID 3561753
N'-acetyl-N'-benzylacetohydrazide
CID 23198251
1,3-dibenzyl-1-methylthiourea
CID 3811555
1-benzyl-1-methyl-3-(2-methylprop-2-enyl)thiourea
CID 4166728
1-benzyl-1-(methanesulfonamido)thiourea
CID 87822216
N,N-dibenzyl-2-methylbut-2-en-1-amine
CID 78088479
1-acetyl-1-anilinothiourea
CID 130017770
1-phenylpropane-2-thione
CID 19915653
N-benzyl-N-[4-(dibenzylhydrazinylidene)pentan-2-ylideneamino]-1-phenylmethanamine
CID 123599091
[benzyl(methyl)carbamothioyl] N-benzyl-N-methylcarbamodithioate
CID 134917372
N-anilino-N-ethylhydroxylamine
CID 54381166
1,1-dibenzylthiourea
CID 3517261

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-phenylethanethiohydrazide?
The IUPAC name of N-benzyl-N'-phenylethanethiohydrazide (CID 154264206) is N-benzyl-N'-phenylethanethiohydrazide.
What is the SMILES notation for N-benzyl-N'-phenylethanethiohydrazide?
The canonical SMILES for N-benzyl-N'-phenylethanethiohydrazide is CC(=S)N(Cc1ccccc1)Nc1ccccc1.
What is the InChIKey of N-benzyl-N'-phenylethanethiohydrazide?
The InChIKey is YADQFVSGJBBHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2S/c1-13(18)17(12-14-8-4-2-5-9-14)16-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3.
What are the key properties of N-benzyl-N'-phenylethanethiohydrazide?
N-benzyl-N'-phenylethanethiohydrazide has a molecular weight of 256.37 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-phenylethanethiohydrazide is sourced from PubChem (CID 154264206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).