Basic information
- CAS
78756-28-2- Standard SMILES
O=c1[nH]c2ccsc2c(=O)o1- InChIKey
QHTTXSWWWSYDRY-UHFFFAOYSA-N- Molecular formula
- C6H3NO3S
- Average molar mass
- 169.16 g/mol
- Monoisotopic mass
- 168.98336396
Names & identifiers
- Preferred name
- 1H,2H,4H-thieno(3,2-d)(1,3)oxazine-2,4-dione
- IUPAC
- 1H-thieno[3,2-d][1,3]oxazine-2,4-dione
- English name
- 1,4-Dihydro-2H-thieno[3,2-d][1,3]oxazine-2,4-dione
- Molecular formula
- C6H3NO3S
- Molecular weight
- 169.1597
Names & synonyms
1H,2H,4H-thieno[3,2-d][1,3]oxazine-2,4-dione1H,2H,4H-thieno(3,2-d)(1,3)oxazine-2,4-dioneRefChem:437726822-474-578756-28-21H-thieno[3,2-d][1,3]oxazine-2,4-dione2H-Thieno[3,2-d][1,3]oxazine-2,4(1H)-dione1,4-Dihydro-2H-thieno[3,2-d][1,3]oxazine-2,4-dioneMFCD001066481H-Thieno(3,2-d)(1,3)oxazine-2,4-dione2H-thieno[3,2-d][1,3]oxazine-2,4[1H)-dione2H-thieno[3,2-d][1,3]oxazine-2,4[1H]-dione
Show more names
1H-thieno[3,2-d][1,3]oxazin-2,4-dione1H-thiophenebenzo[3,2-d][1,3]azine-2,4-dione1,4-Dihydro-2,4-dioxo-2H-thieno[3,2-d][1,3]oxazine
SCHEMBL1285397DTXSID80380559QHTTXSWWWSYDRY-UHFFFAOYSA-NDDA75628SBB088268AKOS005145576FD10549PS-4346
Database identifiers
- CAS
78756-28-2- PubChem CID
- 2777552
- DTXSID
DTXSID80380559
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers36 total
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海超悦化学科技有限公司（原上海斯比德化学）21-65679720 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
江苏弘和药物研发有限公司5108538618 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
上海合寰化工科技有限公司18621911604 · [email protected]
嘉兴诺华化工有限公司18957373295
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
北京汇科盈生物科技有限公司15210661751 · [email protected]
Related reactions
35 records
Compound notes
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