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33305-08-7 molecular structure
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methyl 1,3-thiazolidine-2-carboxylate hydrochloride

ChemBase ID: 92371
Molecular Formular: C5H10ClNO2S
Molecular Mass: 183.6564
Monoisotopic Mass: 183.01207725
SMILES and InChIs

SMILES:
S1CCNC1C(=O)OC.Cl
Canonical SMILES:
COC(=O)C1NCCS1.Cl
InChI:
InChI=1S/C5H9NO2S.ClH/c1-8-5(7)4-6-2-3-9-4;/h4,6H,2-3H2,1H3;1H
InChIKey:
YGTQIXUXZVNVKG-UHFFFAOYSA-N

Cite this record

CBID:92371 http://www.chembase.cn/molecule-92371.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 1,3-thiazolidine-2-carboxylate hydrochloride
IUPAC Traditional name
methyl 1,3-thiazolidine-2-carboxylate hydrochloride
Synonyms
Thiazolidine-2-carboxylic acid methyl ester hydrochloride
Methyl thiazolidine-2-carboxylate hydrochloride
methyl 1,3-thiazolane-2-carboxylate hydrochloride
Methyl thiazolidine-2-carboxylate hydrochloride
噻唑烷-2-羧酸甲酯 盐酸盐
噻唑烷-2-甲酸甲酯 盐酸盐
CAS Number
33305-08-7
50703-06-5
EC Number
256-726-5
MDL Number
MFCD00068022
PubChem SID
24879056
162079069
PubChem CID
2737506

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2737506 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.0643986  LogD (pH = 7.4) 0.14080498 
Log P 0.14187151  Molar Refractivity 35.7577 cm3
Polarizability 14.609369 Å3 Polar Surface Area 38.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
159-163 °C (dec.)(lit.) expand Show data source
Storage Warning
Irritant expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Empirical Formula (Hill Notation)
C5H10ClNO2S · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 548758 external link
Packaging
1, 5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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