Home > Compound List > Compound details
1256240-34-2 molecular structure
click picture or here to close

methyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate

ChemBase ID: 292872
Molecular Formular: C6H7NO3S
Molecular Mass: 173.18968
Monoisotopic Mass: 173.01466409
SMILES and InChIs

SMILES:
COC(=O)c1csc(CO)n1
Canonical SMILES:
COC(=O)c1csc(n1)CO
InChI:
InChI=1S/C6H7NO3S/c1-10-6(9)4-3-11-5(2-8)7-4/h3,8H,2H2,1H3
InChIKey:
JMTCSMYSZIQXSC-UHFFFAOYSA-N

Cite this record

CBID:292872 http://www.chembase.cn/molecule-292872.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
IUPAC Traditional name
methyl 2-(hydroxymethyl)-1,3-thiazole-4-carboxylate
Synonyms
Methyl 2-(hydroxymethyl)thiazole-4-carboxylate
CAS Number
1256240-34-2
PubChem SID
180678403
PubChem CID
67281593

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241746 Please log in.
Data Source Data ID
PubChem 67281593 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.200706  H Acceptors
H Donor LogD (pH = 5.5) 0.1271824 
LogD (pH = 7.4) 0.12718189  Log P 0.12718257 
Molar Refractivity 39.0626 cm3 Polarizability 15.175421 Å3
Polar Surface Area 59.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle