N-Methyl-N-(4-methyl-1,3-benzothiazol-2-yl)urea
Completing data — refresh the page later to see the latest
Basic information
- CAS
353255-67-1- Standard SMILES
Cc1cccc2sc(N(C)C(N)=O)nc12- InChIKey
LSUAVSBSKJUPST-UHFFFAOYSA-N- Molecular formula
- C10H11N3OS
- Average molar mass
- 221.28 g/mol
- Monoisotopic mass
- 221.06228316
Names & identifiers
- Preferred name
- N-Methyl-N-(4-methyl-1,3-benzothiazol-2-yl)urea
- IUPAC
- 1-methyl-1-(4-methyl-1,3-benzothiazol-2-yl)urea
- English name
- Urea, N-methyl-N-(4-methyl-2-benzothiazolyl)- (9CI)
- Molecular formula
- C10H11N3OS
- Molecular weight
- 221.28
Names & synonyms
353255-67-1N-Methyl-N-(4-methyl-1,3-benzothiazol-2-yl)ureaDTXSID10663246Urea, N-methyl-N'-(4-methyl-2-benzothiazolyl)-Urea, N-methyl-N-(4-methyl-2-benzothiazolyl)- (9CI)
Database identifiers
- CAS
353255-67-1- PubChem CID
- 45077072
- DTXSID
DTXSID10663246
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 261
Physicochemical properties
- Density
- 1.345 · 1.345±0.06 g/cm3(Predicted)
- pka
- 9.11 · 9.11±0.70(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…