Basic information
- CAS
18331-34-5- Standard SMILES
CCN1C(=O)C(=Cc2ccccc2)SC1=S- InChIKey
ZQDPYAPUFMILTB-UHFFFAOYSA-N- Molecular formula
- C12H11NOS2
- Average molar mass
- 249.4 g/mol
- Monoisotopic mass
- 249.02820632
Names & identifiers
- Preferred name
- 3-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thione
- IUPAC
- 5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-Benzylidene-3-ethyl rhodanine
- Molecular formula
- C12H11NOS2
- Molecular weight
- 249.35
Names & synonyms
18331-34-53-Ethyl-4-oxo-5-benzylidene-1,3-thiazolidine-2-thioneRefChem:2792045-BENZYLIDENE-3-ETHYL RHODANINEBTR-15-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one5-Benzylidene-3-ethyl-2-thioxothiazolidin-4-one3-ethyl-5-(phenylmethylidene)-2-sulfanylidene-1,3-thiazolidin-4-oneIFLab1_001589SCHEMBL2447134ZQDPYAPUFMILTB-UHFFFAOYSA-NDTXSID201214959
Show more names
BTR-1 ，S0307BTR-1, 10 mM in DMSOBTR 1,Inhibitor,inhibit,Apoptosis,BTR1,BTR-13-Ethyl-5-benzylidene-2-thioxothiazolidin-4-one4-Thiazolidinone, 3-ethyl-5-(phenylmethylene)-2-thioxo-
AKOS034343338F870201
Database identifiers
- CAS
18331-34-5- PubChem CID
- 205607
- DTXSID
DTXSID201214959
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 372.8 · 372.8±45.0 °C(Predicted)
- Density
- 1.34 · 1.34±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 25 mg/mL · DMSO : 25 mg/mL (100.26 mM);Water : < 0.1 mg/mL (insoluble)
- pka
- -2.75 · -2.75±0.20(Predicted)
- form
- Solid
- color
- Light yellow to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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-P305+P351+P338
Chemistry & industry
Applications
UsesBTR-1 is an active anti-cancer agent, causes S phase arrest, and affects DNA replication in leukemic cells. BTR-1 activates apoptosis and induces cell death[1].
Suppliers33 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
InvivoChem中国13549236410 · [email protected]
韶关市启程生物科技有限公司18122215013 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海一研生物科技有限公司021-69985186 13611928337 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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