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86-39-5 molecular structure
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2-chloro-10$l^{3}-thioxanthen-9-ol

ChemBase ID: 103111
Molecular Formular: C13H8ClOS
Molecular Mass: 247.72002
Monoisotopic Mass: 246.99843856
SMILES and InChIs

SMILES:
OC1=c2cc(Cl)ccc2=[S]c2ccccc12
Canonical SMILES:
Clc1ccc2=[S]c3c(C(=c2c1)O)cccc3
InChI:
InChI=1S/C13H8ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7,15H
InChIKey:
LMHDGPCSLWSWKM-UHFFFAOYSA-N

Cite this record

CBID:103111 http://www.chembase.cn/molecule-103111.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-chloro-10$l^{3}-thioxanthen-9-ol
IUPAC Traditional name
2-chloro-10$l^{3}-thioxanthen-9-ol
Synonyms
2-CHLOROTHIOXANTHONE
CAS Number
86-39-5
EC Number
201-667-2
PubChem SID
162091218
PubChem CID
0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
02150660 external link Add to cart Please log in.
Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.6934977  H Acceptors
H Donor Molar Refractivity 70.9414 cm3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Condition
Room Temperature (15-30°C) expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 02150660 external link
Yellowish-green powder.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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