Basic information
- CAS
380349-35-9- Standard SMILES
CCc1ccc(NC2=NCCCS2)cc1- InChIKey
OSKCNZZSIHVFTH-UHFFFAOYSA-N- Molecular formula
- C12H16N2S
- Average molar mass
- 220.34 g/mol
- Monoisotopic mass
- 220.10341969
Names & identifiers
- Preferred name
- N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
- IUPAC
- N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
- English name
- (5,6-DIHYDRO-4H-[1,3]THIAZIN-2-YL)-(4-ETHYL-PHENYL)-AMINE
- Molecular formula
- C12H16N2S
- Molecular weight
- 220.33
Names & synonyms
380349-35-9N-(4-ethylphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amineRefChem:827617872-719-5(5,6-Dihydro-4H-[1,3]thiazin-2-yl)-(4-ethyl-phenyl)-amineMLS001233668CHEMBL1425188HMS1765C14HMS2897O19MFCD03150324SBB038356STL282789
Show more names
AKOS BBS-000004784H-1,3-Thiazin-2-amine, N-(4-ethylphenyl)-5,6-dihydro-
AKOS000115476AKOS008017720AKOS030697244SMR000595604SY135569EN300-02460G34767SR-01000031981
Database identifiers
- CAS
380349-35-9- PubChem CID
- 2133441
- ChEMBL
CHEMBL1425188- EC Number
- 872-719-5
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Solubility>33 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 343.5 · 343.5±35.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 7.74 · 7.74±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 332 · H332-H302-H319-H312-H315-H335
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H332-H302-H319-H312-H315-H335
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P261-P271-P304+P340-P312-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers3 total
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海研邦医药科技有限公司15618536883 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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