1-Benzothiepin-5(2H)-one,3,4-dihydro-4-(phenylmethylene)-, 1,1-dioxide
Modify Date: 2026-06-30 16:28:22
1-Benzothiepin-5(2H)-one,3,4-dihydro-4-(phenylmethylene)-, 1,1-dioxide structure
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Common Name | 1-Benzothiepin-5(2H)-one,3,4-dihydro-4-(phenylmethylene)-, 1,1-dioxide | ||
|---|---|---|---|---|
| CAS Number | 40322-51-8 | Molecular Weight | 298.35600 | |
| Density | 1.326g/cm3 | Boiling Point | 545.4ºC at 760mmHg | |
| Molecular Formula | C17H14O3S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 361.7ºC | |
| Name | (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1λ6-benzothiepin-5-one |
|---|---|
| Synonym | More Synonyms |
| Density | 1.326g/cm3 |
|---|---|
| Boiling Point | 545.4ºC at 760mmHg |
| Molecular Formula | C17H14O3S |
| Molecular Weight | 298.35600 |
| Flash Point | 361.7ºC |
| Exact Mass | 298.06600 |
| PSA | 59.59000 |
| LogP | 4.21110 |
| Index of Refraction | 1.641 |
| InChIKey | UUQMMJMDAHVZLU-WYMLVPIESA-N |
| SMILES | O=C1C(=Cc2ccccc2)CCS(=O)(=O)c2ccccc21 |
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~66%
1-Benzothiepin-... CAS#:40322-51-8 |
| Literature: Orlov, V. D.; Mikhed'kina, E. I.; Lavrushin, V. F. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 1 p. 126 - 134,115 - 122 |
|
~87%
1-Benzothiepin-... CAS#:40322-51-8 |
| Literature: Orlov, V. D.; Mikhed'kina, E. I.; Lavrushin, V. F. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 1 p. 126 - 134,115 - 122 |
|
~%
1-Benzothiepin-... CAS#:40322-51-8 |
| Literature: Orlov, V. D.; Mikhed'kina, E. I.; Lavrushin, V. F. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 1 p. 126 - 134,115 - 122 |
|
~%
1-Benzothiepin-... CAS#:40322-51-8 |
| Literature: Orlov, V. D.; Mikhed'kina, E. I.; Lavrushin, V. F. J. Gen. Chem. USSR (Engl. Transl.), 1982 , vol. 52, # 1 p. 126 - 134,115 - 122 |
![(5E)-5-benzylidene-2-thiabicyclo[5.4.0]undeca-7,9,11-trien-6-one structure](https://image.chemsrc.com/caspic/452/40322-46-1.png)
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Name: DNDI: Cytotoxicity against human MRC-5 lung fibroblast cells.
Source: ChEMBL
Target: MRC5
External Id: CHEMBL2095143
|
|
Name: DNDI: Inhibition of Human African Trypanosomiasis (HAT), STIB 795, in vitro
Source: ChEMBL
Target: Trypanosoma brucei brucei
External Id: CHEMBL2095144
|
|
Name: Identification of CBX7 inhibitors - Primary Alpha Screen
Source: 15290
Target: N/A
External Id: CBX7-Alpha-primary
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| 4-benzylidene-5-homothiochromanone 1,1-dioxide |