Basic information
- Standard SMILES
O=S1c2ccccc2Oc2ccccc21- InChIKey
ZESLIAUQVGLCIA-UHFFFAOYSA-N- Molecular formula
- C12H8O2S
- Average molar mass
- 216.26 g/mol
- Monoisotopic mass
- 216.0245005
Names & identifiers
- Preferred name
- Phenoxathiin, 10-oxide
- IUPAC
- phenoxathiine 10-oxide
- English name
- Phenoxathiin 10-oxide
- Molecular formula
- C12H8O2S
- Molecular weight
- 0
Names & synonyms
Phenoxathiin, 10-oxidePhenoxathiin S-oxidephenoxathiin-10-oxideNSC 3222BRN 015229297A9Z24CDTAI3-17429NSC-3222DTXSID702416255-19-02-00044 (Beilstein Handbook Reference)RefChem:172900DTXCID00164116
Show more names
659-795-3ZESLIAUQVGLCIA-UHFFFAOYSA-NPhenoxathiine 10-oxide948-44-7Phenoxathiin 10-oxidePhenoxathiin sulfoxideMFCD00093073MLS002637676
Database identifiers
- CAS
948-44-7- PubChem CID
- 70360
- DTXSID
DTXSID70241625- ChEMBL
CHEMBL315573- UNII
- 97A9Z24CDT
- EC Number
- 659-795-3
- Nikkaji
- J50.192A
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 242
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- FDA UNII
- 97 A9Z24CDT · 97A9Z24CDT
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers11 total
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Linked notes
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