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77111-29-6 molecular structure
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2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine

ChemBase ID: 154391
Molecular Formular: C15H14ClCuN3S2
Molecular Mass: 399.42076
Monoisotopic Mass: 397.96136464
SMILES and InChIs

SMILES:
C/C(=N\N=C(\SCc1ccccc1)/S[Cu]Cl)/c1ccccn1
Canonical SMILES:
Cl[Cu]S/C(=N\N=C(\c1ccccn1)/C)/SCc1ccccc1
InChI:
InChI=1S/C15H15N3S2.ClH.Cu/c1-12(14-9-5-6-10-16-14)17-18-15(19)20-11-13-7-3-2-4-8-13;;/h2-10H,11H2,1H3,(H,18,19);1H;/q;;+2/p-2
InChIKey:
MGXCRQNCPJBYKM-UHFFFAOYSA-L

Cite this record

CBID:154391 http://www.chembase.cn/molecule-154391.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine
IUPAC Traditional name
2-(1-{2-[(benzylsulfanyl)[(chlorocuprio)sulfanyl]methylidene]hydrazin-1-ylidene}ethyl)pyridine
Synonyms
Bis-[chloro[phenylmethyl [1-(2-pyridinyl)ethylidene]hydrazinecarbodithioato-N2,N2′,S1’]-copper]
Cu(II) complex of the Schiff base product of condensation of S-benzyl dithiocarbazate and 2-acetylpyridine
[1-(2-pyridinyl)ethylidene]-Hydrazinecarbodithioic acid, phenylmethyl ester, copper complex
NSC 295642
CAS Number
77111-29-6
PubChem SID
162248530
PubChem CID
10763448

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
N9413 external link Add to cart Please log in.
Data Source Data ID
PubChem 10763448 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.3757942  LogD (pH = 7.4) 3.3763924 
Log P 3.3764  Molar Refractivity 93.3229 cm3
Polarizability 39.054684 Å3 Polar Surface Area 37.61 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO: >5 mg/mL expand Show data source
Apperance
dark green solid expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥98% (HPLC) expand Show data source
Empirical Formula (Hill Notation)
C30H28Cl2Cu2N6S4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - N9413 external link
Biochem/physiol Actions
NSC 295642 is a potent inhibitor of cell migration. Cell migration is a basic biological process involved in a range of normal and pathological events, including wound healing, embryonic and tissue development, immune function and inflammation, angiogenesis and tumor metastasis. Therefore, cell migration can be adapted as an important biological tool to monitor several physiological processes as well as development of cancer. Accordingly, a potent inhibitor of cell migration, such as NSC 295642 can elucidate the intrinsic molecular mechanism of many biochemical events.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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