2-Thiomorpholin-4-yl-1,3-thiazole-4-carboxylic acid
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Basic information
- CAS
955400-67-6- Standard SMILES
O=C(O)c1csc(N2CCSCC2)n1- InChIKey
OACNPNBVURAKQU-UHFFFAOYSA-N- Molecular formula
- C8H10N2O2S2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.01836991
Names & identifiers
- Preferred name
- 2-Thiomorpholin-4-yl-1,3-thiazole-4-carboxylic acid
- IUPAC
- 2-thiomorpholin-4-yl-1,3-thiazole-4-carboxylic acid
- English name
- 2-Thiomorpholin-4-yl-1,3-thiazole-4-carboxylic acid
- Molecular formula
- C8H10N2O2S2
- Molecular weight
- 230.31
Names & synonyms
955400-67-62-thiomorpholin-4-yl-1,3-thiazole-4-carboxylic acid2-(thiomorpholin-4-yl)-1,3-thiazole-4-carboxylic acid2-Thiomorpholinothiazole-4-carboxylic acidMFCD111088694-Thiazolecarboxylic acid, 2-(4-thiomorpholinyl)-SCHEMBL3435711HMS3468J10ALBB-015585AKOS0049389122-Thiomorpholinothiazole-4-carboxylicacidNS-02978
Show more names
CS-0237712EN300-186542H31201
Database identifiers
- CAS
955400-67-6- PubChem CID
- 33748292
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Related reactions
0 records
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Compound notes
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