3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide

C15H16N2OS — CID 63581632

IUPAC3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
SMILESCc1cccc(SCc2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-7-14(8-11)19-10-12-5-3-6-13(9-12)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWUCPXEHBKCAXBG-UHFFFAOYSA-N
MW272.37 g/mol
LogP2.89
Rot. Bonds4

About 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide

3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 63581632) has the molecular formula C15H16N2OS and a molecular weight of 272.37 g/mol. Its IUPAC name is 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
PubChem CID63581632
Molecular FormulaC15H16N2OS
Molecular Weight272.37 g/mol
Exact Mass272.10
IUPAC Name3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide
SMILESCc1cccc(SCc2cccc(C(=O)NN)c2)c1
InChIInChI=1S/C15H16N2OS/c1-11-4-2-7-14(8-11)19-10-12-5-3-6-13(9-12)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWUCPXEHBKCAXBG-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 52.89
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

3-[(4-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
CID 79148671
3-[(4-propan-2-ylphenyl)sulfanylmethyl]benzohydrazide
CID 63581336
3-[(2-hydroxyphenyl)sulfanylmethyl]benzohydrazide
CID 55213516
3-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63581182
3-(thiophen-2-ylsulfanylmethyl)benzohydrazide
CID 63580079
3-[(3-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63581820
3-(1-aminopropan-2-ylsulfanylmethyl)benzohydrazide
CID 66242468
4-[(3-methylphenyl)sulfanylmethyl]-1,3-thiazole-2-carbohydrazide
CID 63579999
3-[(3-aminophenyl)sulfanylmethyl]benzamide
CID 79133655
3-[(2-amino-5-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 79515162
3-[(2-amino-4-bromophenyl)sulfanylmethyl]benzohydrazide
CID 63589210
3-[(2-amino-4-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 63582189

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide (CID 63581632) is 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide is Cc1cccc(SCc2cccc(C(=O)NN)c2)c1.
What is the InChIKey of 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is WUCPXEHBKCAXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS/c1-11-4-2-7-14(8-11)19-10-12-5-3-6-13(9-12)15(18)17-16/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide?
3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 272.37 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 63581632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).