3-methylsulfanyl-N'-phenylbenzohydrazide

C14H14N2OS — CID 54107491

IUPAC3-methylsulfanyl-N'-phenylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-9-5-6-11(10-13)14(17)16-15-12-7-3-2-4-8-12/h2-10,15H,1H3,(H,16,17)
InChIKeyNETXBPLENJBUID-UHFFFAOYSA-N
MW258.35 g/mol
LogP3.17
Rot. Bonds4

About 3-methylsulfanyl-N'-phenylbenzohydrazide

3-methylsulfanyl-N'-phenylbenzohydrazide (PubChem CID 54107491) has the molecular formula C14H14N2OS and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-methylsulfanyl-N'-phenylbenzohydrazide.

Molecular Properties

Compound Name3-methylsulfanyl-N'-phenylbenzohydrazide
PubChem CID54107491
Molecular FormulaC14H14N2OS
Molecular Weight258.35 g/mol
Exact Mass258.08
IUPAC Name3-methylsulfanyl-N'-phenylbenzohydrazide
SMILESCSc1cccc(C(=O)NNc2ccccc2)c1
InChIInChI=1S/C14H14N2OS/c1-18-13-9-5-6-11(10-13)14(17)16-15-12-7-3-2-4-8-12/h2-10,15H,1H3,(H,16,17)
InChIKeyNETXBPLENJBUID-UHFFFAOYSA-N
XLogP3.17
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methylsulfanyl-N'-phenylbenzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-chlorophenyl)-3-methylsulfanylbenzohydrazide
CID 54214681
2-(3-methylsulfanylbenzoyl)benzoic acid
CID 91655850
3-(carbamoylamino)-N-(3-methylsulfanylphenyl)benzamide
CID 9068240
N'-(6-fluoro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600544
N'-(4-chloro-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599849
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
3-methylsulfanyl-N-(2-phenoxyphenyl)benzamide
CID 43980865
4-methylsulfanyl-N-(3-methylsulfanylphenyl)benzamide
CID 9403388
N'-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7600332
N'-(4-ethyl-1,3-benzothiazol-2-yl)-3-methylsulfanylbenzohydrazide
CID 7599930
N-[4-(2-benzoylhydrazinyl)phenyl]benzamide
CID 23454945
N-(3-methylsulfanylphenyl)-3-(trifluoromethyl)benzamide
CID 2665623

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-N'-phenylbenzohydrazide?
The IUPAC name of 3-methylsulfanyl-N'-phenylbenzohydrazide (CID 54107491) is 3-methylsulfanyl-N'-phenylbenzohydrazide.
What is the SMILES notation for 3-methylsulfanyl-N'-phenylbenzohydrazide?
The canonical SMILES for 3-methylsulfanyl-N'-phenylbenzohydrazide is CSc1cccc(C(=O)NNc2ccccc2)c1.
What is the InChIKey of 3-methylsulfanyl-N'-phenylbenzohydrazide?
The InChIKey is NETXBPLENJBUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2OS/c1-18-13-9-5-6-11(10-13)14(17)16-15-12-7-3-2-4-8-12/h2-10,15H,1H3,(H,16,17).
What are the key properties of 3-methylsulfanyl-N'-phenylbenzohydrazide?
3-methylsulfanyl-N'-phenylbenzohydrazide has a molecular weight of 258.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N'-phenylbenzohydrazide is sourced from PubChem (CID 54107491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).