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281203-98-3 molecular structure
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6-(thiophen-3-yl)-1H-indazole

ChemBase ID: 812996
Molecular Formular: C11H8N2S
Molecular Mass: 200.25962
Monoisotopic Mass: 200.04081927
SMILES and InChIs

SMILES:
c1n[nH]c2cc(ccc12)c1cscc1
Canonical SMILES:
c1scc(c1)c1ccc2c(c1)[nH]nc2
InChI:
InChI=1S/C11H8N2S/c1-2-9-6-12-13-11(9)5-8(1)10-3-4-14-7-10/h1-7H,(H,12,13)
InChIKey:
PJVRVMTZHZABIW-UHFFFAOYSA-N

Cite this record

CBID:812996 http://www.chembase.cn/molecule-812996.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(thiophen-3-yl)-1H-indazole
IUPAC Traditional name
6-(thiophen-3-yl)-1H-indazole
Synonyms
6-THIOPHEN-3-YL-1H-INDAZOLE
CAS Number
281203-98-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O33809 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O33809 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.910867  H Acceptors
H Donor LogD (pH = 5.5) 2.723955 
LogD (pH = 7.4) 2.7239616  Log P 2.723975 
Molar Refractivity 58.3151 cm3 Polarizability 24.316143 Å3
Polar Surface Area 28.68 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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