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25445-02-7 molecular structure
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5-phenyl-1,3-thiazole-2-thiol

ChemBase ID: 806500
Molecular Formular: C9H7NS2
Molecular Mass: 193.28858
Monoisotopic Mass: 193.00199123
SMILES and InChIs

SMILES:
s1c(ncc1c1ccccc1)S
Canonical SMILES:
Sc1ncc(s1)c1ccccc1
InChI:
InChI=1S/C9H7NS2/c11-9-10-6-8(12-9)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey:
MWLSEYMWXVXBOW-UHFFFAOYSA-N

Cite this record

CBID:806500 http://www.chembase.cn/molecule-806500.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-phenyl-1,3-thiazole-2-thiol
IUPAC Traditional name
5-phenyl-1,3-thiazole-2-thiol
Synonyms
5-PHENYLTHIAZOLE-2-THIOL
CAS Number
25445-02-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O24181 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O24181 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 7.637203  H Acceptors
H Donor LogD (pH = 5.5) 3.0503228 
LogD (pH = 7.4) 2.8643262  Log P 3.0534272 
Molar Refractivity 53.6698 cm3 Polarizability 22.149216 Å3
Polar Surface Area 12.89 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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