Basic information
- CAS
69001-90-7- Standard SMILES
O=C(O)CSc1cnc2ccccc2n1- InChIKey
ZBWZEFLYRWANSY-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2S
- Average molar mass
- 220.25 g/mol
- Monoisotopic mass
- 220.03064868
Names & identifiers
- Preferred name
- 2-(Quinoxalin-2-ylsulfanyl)acetic acid
- IUPAC
- 2-quinoxalin-2-ylsulfanylacetic acid
- English name
- 2-(2-Quinoxalinylsulfanyl)acetic acid
- Molecular formula
- C10H8N2O2S
- Molecular weight
- 220.25
Names & synonyms
2-(quinoxalin-2-ylsulfanyl)acetic acidRefChem:462268973-925-969001-90-72-(Quinoxalin-2-ylthio)acetic acid2-(2-QUINOXALINYLSULFANYL)ACETIC ACID2-quinoxalin-2-ylsulfanylacetic acid(Quinoxalin-2-ylthio)acetic acidMFCD001386912-quinoxalin-2-ylthioacetic acid(quinoxalin-2-ylsulfanyl)acetic acidMLS000566807
Show more names
AKOS BBS-00001872BUTTPARK 20\04-17LABOTEST-BB LT00566734Acetic acid, 2-(2-quinoxalinylthio)-2-[(Carboxymethyl)sulphanyl]quinoxaline2-[(Carboxymethyl)sulphanyl]quinoxaline, 2-[(Carboxymethyl)sulphanyl]-1,4-benzodiazine
2-(2-Quinoxalinylthio)acetic Acid[(Quinoxalin-2-yl)thio]acetic acidOprea1_769540(2-quinoxalylthio)acetic acidorb3022517SCHEMBL5191625CHEMBL1305674DTXSID20352977
Database identifiers
- CAS
69001-90-7- PubChem CID
- 736252
- DTXSID
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 88.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 157 · 157-159°C
- Boiling point
- 442.1 · 442.1±35.0 °C(Predicted)
- Density
- 1.45 · 1.45±0.1 g/cm3(Predicted)
- pka
- 3.01 · 3.01±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P271
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
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, 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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280-P271
Chemistry & industry
Suppliers5 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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