4-Thiazolidinecarboxylic acid, methyl ester

HCID 93329
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Basic information

CAS
60667-24-5
Standard SMILES
COC(=O)C1CSCN1
InChIKey
NHBNAVLHRAPNKY-UHFFFAOYSA-N
Molecular formula
C5H9NO2S
Average molar mass
147.2 g/mol
Monoisotopic mass
147.03539953

Overview

structure given in first source

Names & identifiers

Preferred name
4-Thiazolidinecarboxylic acid, methyl ester
IUPAC
methyl 1,3-thiazolidine-4-carboxylate
English name
methyl thiazolidine-4-carboxylate
Molecular formula
C5H9NO2S
Molecular weight
147.2

Names & synonyms

60667-24-54-Carbomethoxythiazoline8VLB09VT954-Thiazolidinecarboxylic acid, methyl esterRefChem:912817Methyl thiazolidine-4-carboxylatemethyl 1,3-thiazolidine-4-carboxylateThiazolidine-4-carboxylic acid methyl esterEINECS 262-361-2UNII-8VLB09VT95thiazolidine, 4-methoxycarbonyl-MFCD02737719
Show more names
4-Thiazolidinecarboxylicacid,methylester(7CI,9CI)
4-THIAZOLIDINECARBOXYLIC ACID METHYL ESTERSCHEMBL662258SCHEMBL3361966SCHEMBL7963681Methylthiazolidine-4-carboxylateDTXSID10902920HMS1684M10AKOS000651229

Database identifiers

CAS
60667-24-5
PubChem CID
93329
DTXSID
DTXSID10902920
UNII
8VLB09VT95
EC Number
262-361-2
Nikkaji
J268.256G

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
63.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
9

Physicochemical properties

Boiling point
238.9 · 238.9±35.0 °C(Predicted)
Density
1.208 · 1.208
pka
6.77 · 6.77±0.40(Predicted)
FDA UNII
8 VLB09VT95 · 8VLB09VT95
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Suppliers7 total

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
杭州洛丹伦医药技术有限公司18968132030 · [email protected]
成都诺维尔生物医药有限公司028-85255396 18302801538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]

Related reactions

5 records
New reaction record

Compound notes

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