2-(Allylthio)-2-thiazoline
Basic information
- CAS
3571-74-2- Standard SMILES
C=CCSC1=NCCS1- InChIKey
HOULSWDLZNLUIV-UHFFFAOYSA-N- Molecular formula
- C6H9NS2
- Average molar mass
- 159.3 g/mol
- Monoisotopic mass
- 159.01764164
Names & identifiers
- Preferred name
- 2-(Allylthio)-2-thiazoline
- IUPAC
- 2-prop-2-enylsulfanyl-4,5-dihydro-1,3-thiazole
- English name
- 2-(ALLYLTHIO)-2-THIAZOLINE
- Molecular formula
- C6H9NS2
- Molecular weight
- 159.27
Names & synonyms
2-(Allylthio)-2-thiazoline3571-74-22-Thiazoline, 2-(allylthio)-En-28,450ENT 28,4503AU4RZ7RUTEINECS 222-679-4Thiazole, 4,5-dihydro-2-(2-propenylthio)-NSC 512606BRN 05076804,5-Dihydro-2-(2-propenylthio)thiazoleUNII-3AU4RZ7RUT
Show more names
2-(allylthio)-2-thiazolinS-ALLYL-2-MERCAPTOTHIAZOLINE2-(ALLYLTHIO)-2-THIAZOLINE 98+%2-(allylthio)-4,5-dihydrothiazole2-(prop-2-enylthio)-4,5-dihydrothiazole2-(ALLYLTHIO)-2-THIAZOLINE FOR SYNTHESIS
NSC-512606DTXSID301892314,5-DIHYDRO-2-(2-PROPEN-1-YLTHIO)THIAZOLETHIAZOLE, 4,5-DIHYDRO-2-(2-PROPEN-1-YLTHIO)-RefChem:84552DTXCID60111722THIAZOLE, 4,5-DIHYDRO-2-(2-PROPENYLTHIO)-(9CI)222-679-4
Database identifiers
- CAS
3571-74-2- PubChem CID
- 77119
- DTXSID
DTXSID30189231- UNII
- 3AU4RZ7RUT
- EC Number
- 222-679-4
- Nikkaji
- J54.395K
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 131
Physicochemical properties
- Density
- 1.16 g/cm3 · 1.16 g/cm3 (20℃)
- refractive index
- 1.55 · 1.5500 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 3.61 · 3.61±0.10(Predicted)
- form
- liquid
- Boiling point
- 92 · 92-94°C (2 hPa)
- FDA UNII
- 3 AU4RZ7RUT · 3AU4RZ7RUT
- UNSPSC Code
- 12352113 · 12352113
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311
- Precautionary statements
- 264 · P264-P270-P280-P301+P310-P302+P352+P312-P361+P364
- WGK Germany
- 3 highly · WGK 3 highly water endangering
- HS Code
- 2934 · 2934 10 00
- Toxicity
- 50 orally · LD50 orally in Rabbit: 110 mg/kg LD50 dermal Rabbit 340 mg/kg
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
Regulatory Information2-(Allylthio)-2-thiazoline: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- WGK 3 highly water endangering
- hs_code
- 2934 10 00
- Toxicity
- LD50 orally in Rabbit: 110 mg/kg LD50 dermal Rabbit 340 mg/kg
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301+H311
- Precautionary statements
- P264-P270-P280-P301+P310-P302+P352+P312-P361+P364
Suppliers
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Related reactions
1 records
Compound notes
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