2-Benzothiazolinethione, 3-(morpholinomethyl)-
Basic information
- CAS
27410-41-9- Standard SMILES
S=c1sc2ccccc2n1CN1CCOCC1- InChIKey
YGYXYFFFRWOVAE-UHFFFAOYSA-N- Molecular formula
- C12H14N2OS2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.05475542
Names & identifiers
- Preferred name
- 2-Benzothiazolinethione, 3-(morpholinomethyl)-
- IUPAC
- 3-(morpholin-4-ylmethyl)-1,3-benzothiazole-2-thione
- English name
- 3-Morpholinomethyl-2(3H)-benzothiazolethione
- Molecular formula
- C12H14N2OS2
- Molecular weight
- 266.38
Names & synonyms
2-Benzothiazolinethione, 3-(morpholinomethyl)-27410-41-9DTXSID90293262RefChem:256394DTXCID002444023-(morpholin-4-ylmethyl)-1,3-benzothiazole-2-thione2(3H)-Benzothiazolethione,3-(4-morpholinylmethyl)-3-[(Morpholin-4-yl)methyl]-1,3-benzothiazole-2(3H)-thione3-(4-morpholinylmethyl)-1,3-benzothiazole-2(3H)-thioneNSC88131Oprea1_061502Oprea1_636497
Show more names
3-Morpholinomethyl-2(3H)-benzothiazolethione3-(MORPHOLINOMETHYL)BENZOTHIAZOLE-2(3H)-THIONE2(3H)-Benzothiazolethione, 3-(4-morpholinylmethyl)-
CBDivE_004978SCHEMBL9628007HMS1683G22NSC-88131AKOS000676712ST4011872Z441018553-(morpholin-4-ylmethyl)-3-hydrobenzothiazole-2-thione
Database identifiers
- CAS
27410-41-9- PubChem CID
- 258808
- DTXSID
DTXSID90293262- EC Number
- 688-722-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 73.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 294
Physicochemical properties
- Melting point
- 147 · 147-148 °C
- Boiling point
- 412.8 · 412.8±55.0 °C(Predicted)
- Density
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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