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42373-04-6 molecular structure
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3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)diazen-1-yl]-1,3-thiazol-3-ium chloride

ChemBase ID: 103709
Molecular Formular: C19H17ClN4S
Molecular Mass: 368.88308
Monoisotopic Mass: 368.08624524
SMILES and InChIs

SMILES:
[Cl-].Cn1c2c(cccc2)c(/N=N/c2[n+](C)ccs2)c1c1ccccc1
Canonical SMILES:
C[n+]1ccsc1/N=N/c1c(c2ccccc2)n(c2c1cccc2)C.[Cl-]
InChI:
InChI=1S/C19H17N4S.ClH/c1-22-12-13-24-19(22)21-20-17-15-10-6-7-11-16(15)23(2)18(17)14-8-4-3-5-9-14;/h3-13H,1-2H3;1H/q+1;/p-1
InChIKey:
WMAVHUWINYPPKT-UHFFFAOYSA-M

Cite this record

CBID:103709 http://www.chembase.cn/molecule-103709.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)diazen-1-yl]-1,3-thiazol-3-ium chloride
IUPAC Traditional name
3-methyl-2-[2-(1-methyl-2-phenylindol-3-yl)diazen-1-yl]-1,3-thiazol-3-ium chloride
Synonyms
C.I. 11460
Basacryl Red GL
3-Methyl-2[(1-methyl-2-phenyl-1H-indol-3-yl)azo]-thiazolium chloride
BASIC RED 29
Basic Red 29
Basacryl Red GL
CAS Number
42373-04-6
EC Number
255-785-4
MDL Number
MFCD00013337
PubChem SID
162090711
24858344
PubChem CID
6538348
Color Index Number
11460

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 6538348 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.077059  H Acceptors
H Donor LogD (pH = 5.5) 1.579615 
LogD (pH = 7.4) 1.579615  Log P 1.579615 
Molar Refractivity 111.8912 cm3 Polarizability 39.356262 Å3
Polar Surface Area 33.53 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Absorption Wavelength
λmax 511 nm expand Show data source
Storage Condition
Room Temperature (15-30°C) expand Show data source
RTECS
XJ7050330 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
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 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
Dye Content ~20% expand Show data source
Compostion
Dye content, 19% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C19H17ClN4S expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 02152631 external link
Dye content: ~ 20%
Sigma Aldrich - 306525 external link
Packaging
25 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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