Basic information
- CAS
4490-75-9- Standard SMILES
O=C1c2ccccc2C(=O)N1CCS- InChIKey
UHOPWFKONJYLCF-UHFFFAOYSA-N- Molecular formula
- C10H9NO2S
- Average molar mass
- 207.25 g/mol
- Monoisotopic mass
- 207.03539953
Names & identifiers
- Preferred name
- 2-Phthalimidoethanethiol
- IUPAC
- 2-(2-sulfanylethyl)isoindole-1,3-dione
- English name
- Ethanethiol, 2-phthalimido-
- Molecular formula
- C10H9NO2S
- Molecular weight
- 207.25
Names & synonyms
4490-75-92-(2-Mercaptoethyl)isoindoline-1,3-dioneEthanethiol, 2-phthalimido-N-(2-Mercaptoethyl)phthalimide2-PhthalimidoethanethiolPhthalimidoethanethiolPhthalimide, N-(2-mercaptoethyl)-1H-Isoindole-1,3(2H)-dione, 2-(2-mercaptoethyl)-NSC 62328BRN 0008026B8AV0RD7MLNSC-62328
Show more names
N-(2-Sulphanylethyl)phthalimideN-(2-Sulphanylethyl)phthalimide 95+%2-(2-Sulfanylethyl)isoindoline-1,3-dione
DTXSID401963355-21-10-00325 (Beilstein Handbook Reference)2-(2-MERCAPTOETHYL)-1H-ISOINDOLE-1,3(2H)-DIONERefChem:478255DTXCID501188261H-Isoindole-1,3(2H)-dione, 2-(2-mercaptoethyl)-(9CI)811-474-02-(2-sulfanylethyl)isoindole-1,3-dione
Database identifiers
- CAS
4490-75-9- PubChem CID
- 96248
- DTXSID
DTXSID40196335- UNII
- B8AV0RD7ML
- EC Number
- 811-474-0
- Nikkaji
- J53.960K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 76 °C · 76 °C
- Boiling point
- 344.3 · 344.3±25.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.10(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 AV0RD7ML · B8AV0RD7ML
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332-H315-H319-H335
- Precautionary statements
- 260 · P260-P280-P312
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
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
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P260-P280-P312
Chemistry & industry
Suppliers5 total
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
7 records
Compound notes
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