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14711-63-8 molecular structure
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thian-2-ol

ChemBase ID: 171032
Molecular Formular: C5H10OS
Molecular Mass: 118.1973
Monoisotopic Mass: 118.04523594
SMILES and InChIs

SMILES:
C1CCSC(C1)O
Canonical SMILES:
OC1CCCCS1
InChI:
InChI=1S/C5H10OS/c6-5-3-1-2-4-7-5/h5-6H,1-4H2
InChIKey:
LYNLMSYCBSCQEF-UHFFFAOYSA-N

Cite this record

CBID:171032 http://www.chembase.cn/molecule-171032.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thian-2-ol
IUPAC Traditional name
thian-2-ol
Synonyms
HPMS
Tetrahydro-2H-thiopyran-2-ol
2-Hydroxypentamethylene Sulfide
CAS Number
14711-63-8
PubChem SID
164226942
PubChem CID
14959631

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC H948900 external link Add to cart
PubChem 14959631 external link
Data Source Data ID Price
TRC
H948900 external link Add to cart Please log in.
Data Source Data ID
PubChem 14959631 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.025966  H Acceptors
H Donor LogD (pH = 5.5) 0.9892034 
LogD (pH = 7.4) 0.9892033  Log P 0.9892034 
Molar Refractivity 32.4642 cm3 Polarizability 12.901659 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Methanol expand Show data source
Apperance
White Low Melting Solid expand Show data source
Melting Point
50-52°C expand Show data source
Storage Condition
Hygroscopic, -20°C Freezer, Under Inert Atmosphere expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - H948900 external link
A novel-aldehyde-terminated self-assembled monlayer that can covalently bind amine-containing molecules from solution without using other reagents.

REFERENCES

REFERENCES

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  • • Horton, R.C. Jr., et al.: J. Am Chem. Soc., 119, 12980 (1997)
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PATENTS

PATENTS

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INTERNET

INTERNET

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