[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine

C13H10BrN3O2S — CID 168531272

IUPAC[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine
SMILESNN=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O2S/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-16-15)7-12(13)17(18)19/h1-8H,15H2
InChIKeyQMVRZGOSQVSNGB-UHFFFAOYSA-N
MW352.21 g/mol
LogP3.80
Rot. Bonds4

About [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine

[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine (PubChem CID 168531272) has the molecular formula C13H10BrN3O2S and a molecular weight of 352.21 g/mol. Its IUPAC name is [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine.

Molecular Properties

Compound Name[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine
PubChem CID168531272
Molecular FormulaC13H10BrN3O2S
Molecular Weight352.21 g/mol
Exact Mass350.97
IUPAC Name[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine
SMILESNN=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10BrN3O2S/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-16-15)7-12(13)17(18)19/h1-8H,15H2
InChIKeyQMVRZGOSQVSNGB-UHFFFAOYSA-N
XLogP3.80
TPSA81.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.21
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-[[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-1,3-thiazole-2,4-diamine
CID 168628078
4-bromo-N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]benzamide
CID 39367805
4-(4-bromophenyl)sulfanyl-3-nitrobenzamide
CID 9283449
1-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]-N-methoxymethanimine
CID 2766462
4-(3-bromophenyl)sulfanyl-3-nitrobenzaldehyde
CID 63801892
N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-4-nitroaniline
CID 39367808
N-[(E)-[4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2,4-dinitroaniline
CID 98095612
N-(3-bromophenyl)-1-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]methanimine
CID 126117687
N-[(Z)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]-2,4-dinitroaniline
CID 6264527
(E)-(4-bromophenyl)methylidenehydrazine
CID 5325577
1-(4-bromo-3-nitrophenyl)-N-(4-bromophenyl)methanimine
CID 4180599
N-(4-bromophenyl)-4-[4-(methanesulfonamido)phenyl]sulfanyl-3-nitrobenzamide
CID 67040318

Frequently Asked Questions

What is the IUPAC name of [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine?
The IUPAC name of [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine (CID 168531272) is [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine.
What is the SMILES notation for [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine?
The canonical SMILES for [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine is NN=Cc1ccc(Sc2ccc(Br)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine?
The InChIKey is QMVRZGOSQVSNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O2S/c14-10-2-4-11(5-3-10)20-13-6-1-9(8-16-15)7-12(13)17(18)19/h1-8H,15H2.
What are the key properties of [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine?
[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine has a molecular weight of 352.21 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methylidenehydrazine is sourced from PubChem (CID 168531272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).