2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide

C15H17N3OS — CID 79146518

IUPAC2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
SMILESCc1cccc(SCc2ccccc2C(=O)NN)c1N
InChIInChI=1S/C15H17N3OS/c1-10-5-4-8-13(14(10)16)20-9-11-6-2-3-7-12(11)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyLAYRHRSWNSQSIU-UHFFFAOYSA-N
MW287.39 g/mol
LogP2.47
Rot. Bonds4

About 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide

2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide (PubChem CID 79146518) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide.

Molecular Properties

Compound Name2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
PubChem CID79146518
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC Name2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide
SMILESCc1cccc(SCc2ccccc2C(=O)NN)c1N
InChIInChI=1S/C15H17N3OS/c1-10-5-4-8-13(14(10)16)20-9-11-6-2-3-7-12(11)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19)
InChIKeyLAYRHRSWNSQSIU-UHFFFAOYSA-N
XLogP2.47
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzoate
CID 82975620
methyl 2-[2-[(2-amino-3-methylphenyl)sulfanylmethyl]phenyl]acetate
CID 115461023
3-[(2-amino-3-methylphenyl)sulfanylmethyl]-4-fluorobenzohydrazide
CID 107459216
methyl 2-amino-3-[(2-methylphenyl)methylsulfanyl]benzoate
CID 115547596
5-[(2-amino-3-methylphenyl)sulfanylmethyl]thiophene-2-carbohydrazide
CID 79147042
2-[(5-amino-2-chlorophenyl)sulfanylmethyl]benzohydrazide
CID 79142609
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-(pyrimidin-2-ylsulfanylmethyl)benzohydrazide
CID 63582300
2-[(3-methoxyphenyl)sulfanylmethyl]benzohydrazide
CID 63580788
2,3-dimethylbenzohydrazide
CID 16790549
2-(2-amino-3-methylphenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
CID 79131216
2-amino-N-(2-ethylsulfanylphenyl)-3-methylbenzamide
CID 61104682

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide?
The IUPAC name of 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide (CID 79146518) is 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide.
What is the SMILES notation for 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide?
The canonical SMILES for 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide is Cc1cccc(SCc2ccccc2C(=O)NN)c1N.
What is the InChIKey of 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide?
The InChIKey is LAYRHRSWNSQSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c1-10-5-4-8-13(14(10)16)20-9-11-6-2-3-7-12(11)15(19)18-17/h2-8H,9,16-17H2,1H3,(H,18,19).
What are the key properties of 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide?
2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide has a molecular weight of 287.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methylphenyl)sulfanylmethyl]benzohydrazide is sourced from PubChem (CID 79146518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).