Basic information
- CAS
207463-35-2- Standard SMILES
Nc1ncc(Cc2cccc3ccccc23)s1- InChIKey
WKKWSBMLQGKXKT-UHFFFAOYSA-N- Molecular formula
- C14H12N2S
- Average molar mass
- 240.33 g/mol
- Monoisotopic mass
- 240.07211956
Names & identifiers
- Preferred name
- 5-(1-Naphthalenylmethyl)-2-thiazolamine
- IUPAC
- 5-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
- English name
- 5-(1-naphthalenylmethyl)-2-Thiazolamine
- Molecular formula
- C14H12N2S
- Molecular weight
- 240.32
Names & synonyms
207463-35-25-(1-naphthalenylmethyl)-2-ThiazolamineRefChem:2992635-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine5-(Naphthalen-1-ylmethyl)thiazol-2-amine5-[(naphthalen-1-yl)methyl]-1,3-thiazol-2-amineMFCD00547830Enamine_000606Oprea1_085476Oprea1_253997SCHEMBL13779248DTXSID801278917
Show more names
2-Thiazolamine, 5-(1-naphthalenylmethyl)-
HMS1395L12HIA46335STK8672395-(1-naphthylmethyl)thiazol-2-amine2-amino-5-(1-naphthylmethyl)thiazoleAKOS000134295WAY-382571DA-38835
Database identifiers
- CAS
207463-35-2- PubChem CID
- 691968
- DTXSID
DTXSID801278917
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Melting point
- 180 · 180-181 °C(Solv: carbon tetrachloride (56-23-5))
- Boiling point
- 448.2 · 448.2±14.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- pka
- 4.85 · 4.85±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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