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1330756-14-3 molecular structure
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5-ethyl-1,3,4-thiadiazol-2-ol

ChemBase ID: 71617
Molecular Formular: C4H6N2OS
Molecular Mass: 130.16824
Monoisotopic Mass: 130.02008382
SMILES and InChIs

SMILES:
s1c(nnc1CC)O
Canonical SMILES:
CCc1nnc(s1)O
InChI:
InChI=1S/C4H6N2OS/c1-2-3-5-6-4(7)8-3/h2H2,1H3,(H,6,7)
InChIKey:
PDPCVHUXVHMHOP-UHFFFAOYSA-N

Cite this record

CBID:71617 http://www.chembase.cn/molecule-71617.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-ethyl-1,3,4-thiadiazol-2-ol
IUPAC Traditional name
5-ethyl-1,3,4-thiadiazol-2-ol
Synonyms
5-Ethyl-1,3,4-thiadiazol-2-ol
CAS Number
1330756-14-3
MDL Number
MFCD19982735
PubChem SID
162103669
PubChem CID
56737772

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 56737772 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 5.296881  H Acceptors
H Donor LogD (pH = 5.5) 0.5689043 
LogD (pH = 7.4) -0.33082864  Log P 0.9525772 
Molar Refractivity 31.911 cm3 Polarizability 11.577236 Å3
Polar Surface Area 46.01 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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