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859850-74-1 molecular structure
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2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylmethanol

ChemBase ID: 101244
Molecular Formular: C7H10N2OS
Molecular Mass: 170.2321
Monoisotopic Mass: 170.05138395
SMILES and InChIs

SMILES:
C12=NC=C(CN1CCS2)CO
Canonical SMILES:
OCC1=CN=C2N(C1)CCS2
InChI:
InChI=1S/C7H10N2OS/c10-5-6-3-8-7-9(4-6)1-2-11-7/h3,10H,1-2,4-5H2
InChIKey:
WCQMQJWUNDOWMY-UHFFFAOYSA-N

Cite this record

CBID:101244 http://www.chembase.cn/molecule-101244.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylmethanol
IUPAC Traditional name
2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylmethanol
Synonyms
2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylmethanol
CAS Number
859850-74-1
MDL Number
MFCD11055258
PubChem SID
162088556
PubChem CID
26343600

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Maybridge
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Data Source Data ID
PubChem 26343600 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.030854  H Acceptors
H Donor LogD (pH = 5.5) -2.159541 
LogD (pH = 7.4) -0.6364945  Log P -0.16278292 
Molar Refractivity 46.7004 cm3 Polarizability 17.51005 Å3
Polar Surface Area 35.83 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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