Basic information
- CAS
24044-87-9- Standard SMILES
COC(=O)CSc1nc2ccccc2s1- InChIKey
FJIFGGQHUVANGE-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S2
- Average molar mass
- 239.3 g/mol
- Monoisotopic mass
- 239.00747088
Names & identifiers
- Preferred name
- Methyl (1,3-benzothiazol-2-ylthio)acetate
- IUPAC
- methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate
- English name
- Acetic acid,2-(2-benzothiazolylthio)-, methyl ester
- Molecular formula
- C10H9NO2S2
- Molecular weight
- 239.31
Names & synonyms
24044-87-9methyl (1,3-benzothiazol-2-ylthio)acetatemethyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetateMethyl 2-(benzo[d]thiazol-2-ylthio)acetateMFCD00450392methyl (1,3-benzothiazol-2-ylsulfanyl)acetateAcetic acid, (2-benzothiazolylthio)-, methyl estermethyl 2-benzothiazol-2-ylthioacetateNSC85744(Benzothiazol-2-ylsulfanyl)-acetic acid methyl esterSCHEMBL10759434DTXSID40946892
Show more names
Acetic acid,2-(2-benzothiazolylthio)-, methyl ester
HMS1677F14ALBB-023429NSC-85744SBB071609STK870512AKOS000593529LS-07369Methyl2-(benzo[d]thiazol-2-ylthio)acetate
Database identifiers
- CAS
24044-87-9- PubChem CID
- 257592
- DTXSID
DTXSID40946892- Nikkaji
- J932.450J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 75 · 75-76 °C
- Boiling point
- 361.3 · 361.3±44.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 0.09 · 0.09±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
Fluorochem Ltd[email protected]
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
COMBI-BLOCKS[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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