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62216-06-2 molecular structure
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quinoline-8-carbothioamide

ChemBase ID: 811135
Molecular Formular: C10H8N2S
Molecular Mass: 188.24892
Monoisotopic Mass: 188.04081927
SMILES and InChIs

SMILES:
c1c(c2c(cc1)cccn2)C(=S)N
Canonical SMILES:
NC(=S)c1cccc2c1nccc2
InChI:
InChI=1S/C10H8N2S/c11-10(13)8-5-1-3-7-4-2-6-12-9(7)8/h1-6H,(H2,11,13)
InChIKey:
QDZPVHAEVIWJKP-UHFFFAOYSA-N

Cite this record

CBID:811135 http://www.chembase.cn/molecule-811135.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
quinoline-8-carbothioamide
IUPAC Traditional name
quinoline-8-carbothioamide
Synonyms
QUINOLINE-8-CARBOTHIOIC ACID AMIDE
CAS Number
62216-06-2

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O30216 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O30216 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.268565  H Acceptors
H Donor LogD (pH = 5.5) 1.8665721 
LogD (pH = 7.4) 1.8713536  Log P 1.8714104 
Molar Refractivity 57.0486 cm3 Polarizability 23.24926 Å3
Polar Surface Area 38.91 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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