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6318-74-7 molecular structure
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diphenyl-1,3-thiazol-2-amine

ChemBase ID: 26670
Molecular Formular: C15H12N2S
Molecular Mass: 252.33418
Monoisotopic Mass: 252.07211939
SMILES and InChIs

SMILES:
c1(c(sc(n1)N)c1ccccc1)c1ccccc1
Canonical SMILES:
Nc1nc(c(s1)c1ccccc1)c1ccccc1
InChI:
InChI=1S/C15H12N2S/c16-15-17-13(11-7-3-1-4-8-11)14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17)
InChIKey:
XDWGEGZDMFHZBL-UHFFFAOYSA-N

Cite this record

CBID:26670 http://www.chembase.cn/molecule-26670.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diphenyl-1,3-thiazol-2-amine
IUPAC Traditional name
diphenyl-1,3-thiazol-2-amine
Synonyms
4,5-Diphenyl-thiazol-2-ylamine
4,5-Diphenyl-1,3-thiazol-2-amine
4,5-Diphenyl-2-thiazolamine
2-Amino-4,5-diphenylthiazole
2-氨基-4,5-二苯基噻唑
CAS Number
6318-74-7
MDL Number
MFCD00438803
PubChem SID
160989977
PubChem CID
73222

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.037378  H Acceptors
H Donor LogD (pH = 5.5) 4.1535378 
LogD (pH = 7.4) 4.164232  Log P 4.1643696 
Molar Refractivity 75.1246 cm3 Polarizability 31.26076 Å3
Polar Surface Area 38.91 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
181 - 183°C expand Show data source
Partition Coefficient
4.413 expand Show data source
Hydrophobicity(logP)
3.825 expand Show data source
Storage Warning
IRRITANT expand Show data source
RTECS
XJ2450000 expand Show data source
European Hazard Symbols
X expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H302-H315-H319-H335 expand Show data source
GHS Precautionary statements
P280H-P305+P351+P338 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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