Basic information
- CAS
383866-88-4- Standard SMILES
COc1cccc2sc(NC(N)=O)nc12- InChIKey
PPBOQWJWGPQHDD-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2S
- Average molar mass
- 223.25 g/mol
- Monoisotopic mass
- 223.04154753
Names & identifiers
- Preferred name
- 1-(4-Methoxybenzo[d]thiazol-2-yl)urea
- IUPAC
- (4-methoxy-1,3-benzothiazol-2-yl)urea
- English name
- Urea, (4-methoxy-2-benzothiazolyl)- (9CI)
- Molecular formula
- C9H9N3O2S
- Molecular weight
- 223.25
Names & synonyms
383866-88-41-(4-methoxybenzo[d]thiazol-2-yl)urea(4-methoxy-1,3-benzothiazol-2-yl)ureaSCHEMBL3050805DTXSID80624344PPBOQWJWGPQHDD-UHFFFAOYSA-N(4-Methoxy-benzothiazol-2-yl)-ureaAKOS027406335DA-42584N-(4-Methoxy-1,3-benzothiazol-2-yl)ureaZ411385444N-(4-methoxy-2-benzothiazolyl)Urea
Show more names
Urea, N-(4-methoxy-2-benzothiazolyl)-Urea, (4-methoxy-2-benzothiazolyl)- (9CI)
Database identifiers
- CAS
383866-88-4- PubChem CID
- 22283036
- DTXSID
DTXSID80624344
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Physicochemical properties
- Density
- 1.483 · 1.483±0.06 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.70(Predicted)
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
德拜科技有限公司00852-2521 1836
Related reactions
5 records
Compound notes
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