Basic information
- CAS
24519-85-5- Standard SMILES
O=C1NC(=O)C2=C1SCCS2- InChIKey
XNIVQWHLYNEVBN-UHFFFAOYSA-N- Molecular formula
- C6H5NO2S2
- Average molar mass
- 187.2 g/mol
- Monoisotopic mass
- 186.97617075
Overview
structure
Names & identifiers
- Preferred name
- 5,6-Dihydro-4-dithiin-2,3-dicarboxylic acid imide
- IUPAC
- 2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dione
- English name
- 5,6-Dihydro-1,4-dithiin-2,3-dicarboximide
- Molecular formula
- C6H5NO2S2
- Molecular weight
- 187.24
Names & synonyms
24519-85-55,6-Dihydro-4-dithiin-2,3-dicarboxylic acid imide5H-1,4-Dithiino[2,3-c]pyrrole-5,7(6H)-dione, 2,3-dihydro-DTXSID101792715H-1,4-Dithiino(2,3-c)pyrrole-5,7(6H)-dione, 2,3-dihydro-5,6-dihydro-p-dithiin-2,3-dicarboxylic acid imideRefChem:101152DTXCID401017625,6-Dihydro-1,4-dithiin-2,3-dicarboximide2,3-dihydro-[1,4]dithiino[2,3-c]pyrrole-5,7-dionep-DITHIIN-2,3-DICARBOXIMIDE, 5,6-DIHYDRO-2,3-dihydro-5h-[1,4]dithiino[2,3-c]pyrrole-5,7(6h)-dione
Show more names
5,6-dihydro-p-dithiin-3-dicarboximide5,6-Dihydro-1,4-dithiin-2,3-dicarbimide5,6-dihydro-p-dithiin-2,3-dicarboximide5,6-Dihydro-1,4-dithiin-2,3-dicarboxamide2H-[1,4]Dithiino[2,3-c]pyrrole-5,7(3H,6H)5,6-Dihydro-1,4-dithiin-2,3-dicarboximide>5,6-DIHYDRO-1,4-DITHIIN-2,3-DICARBOXIMIDE 97+%
NSC 1797922,3-Dihydro-1,4-dithiino[2,3-c]pyrrol-5,7-dioneMFCD01632185BRN 05169523,6-Dithia-3,4,5,6-tetrahydrophthalimide2H-[1,4]Dithiino[2,3-c]pyrrole-5,7(3H,6H)-dionep-Dithiin-2, 5,6-dihydro-3,4,5,5-tetrahydrophthalimide
Database identifiers
- CAS
24519-85-5- PubChem CID
- 32477
- DTXSID
DTXSID10179271- ChEMBL
CHEMBL2262350- UNII
- 85ELP39NWW
- Nikkaji
- J1.485.042B、J87.583J
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Melting point
- 217 °C · 217°C
- Boiling point
- 361.5 · 361.5±42.0 °C(Predicted)
- Density
- 1.441 · 1.441 (estimate)
- refractive index
- 1.538 · 1.5380 (estimate)
- pka
- 8.16 · 8.16±0.20(Predicted)
- form
- powder to crystal
- color
- Light yellow to Brown
- FDA UNII
- 85 ELP39NWW · 85ELP39NWW
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- RTECS
- 6955000 · JO6955000
- HS Code
- 2925.19 · 2925.19.9100
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
- rtecs
- JO6955000
- hs_code
- 2925.19.9100
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers21 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
成都华纯科技有限公司400-1166-196 15982826727 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386, 800-988-0390 · [email protected]
TCI Chemicals (India) Pvt. Ltd.[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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