1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine

C20H19N3O2S — CID 169385478

IUPAC1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
SMILESCc1ccc(Sc2ccc([N+](=O)[O-])cc2CNNc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2S/c1-15-7-10-19(11-8-15)26-20-12-9-18(23(24)25)13-16(20)14-21-22-17-5-3-2-4-6-17/h2-13,21-22H,14H2,1H3
InChIKeyBDCQHRPHUIZNLN-UHFFFAOYSA-N
MW365.46 g/mol
LogP5.17
Rot. Bonds7

About 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine

1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine (PubChem CID 169385478) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
PubChem CID169385478
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine
SMILESCc1ccc(Sc2ccc([N+](=O)[O-])cc2CNNc2ccccc2)cc1
InChIInChI=1S/C20H19N3O2S/c1-15-7-10-19(11-8-15)26-20-12-9-18(23(24)25)13-16(20)14-21-22-17-5-3-2-4-6-17/h2-13,21-22H,14H2,1H3
InChIKeyBDCQHRPHUIZNLN-UHFFFAOYSA-N
XLogP5.17
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.46
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(2-fluoro-5-nitrophenyl)methyl]-2-phenylhydrazine
CID 169384410
2,6-difluoro-4-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylamino]phenol
CID 69009753
2-hydroxy-5-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylamino]benzoic acid
CID 69012306
2-fluoro-4-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylamino]-6-nitrophenol
CID 87653898
2-fluoro-1-(4-methylphenyl)sulfanyl-4-nitrobenzene
CID 132550029
1-[[5-nitro-2-(4-phenylpiperazin-1-yl)phenyl]methyl]-2-phenylhydrazine
CID 169386939
2,4-dichloro-3-methyl-6-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methylamino]phenol
CID 87656411
2-[5-nitro-2-(4-propan-2-ylphenyl)sulfanylphenyl]acetic acid
CID 826760
4-methyl-2-nitro-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169385221
ethyl 1-[4-nitro-2-[(2-phenylhydrazinyl)methyl]phenyl]piperidine-4-carboxylate
CID 169385484
N-[[2-(4-nitrophenyl)sulfanylphenyl]methyl]ethanamine
CID 63808522
2-[2-(4-methoxyphenyl)sulfanyl-5-nitrophenyl]acetic acid
CID 91878908

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine (CID 169385478) is 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine is Cc1ccc(Sc2ccc([N+](=O)[O-])cc2CNNc2ccccc2)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine?
The InChIKey is BDCQHRPHUIZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-15-7-10-19(11-8-15)26-20-12-9-18(23(24)25)13-16(20)14-21-22-17-5-3-2-4-6-17/h2-13,21-22H,14H2,1H3.
What are the key properties of 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine?
1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine has a molecular weight of 365.46 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)sulfanyl-5-nitrophenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169385478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).