Basic information
- CAS
104340-41-2- Standard SMILES
COc1ccc2nc(S(=O)Cc3ccccc3N(C)C)[nH]c2c1- InChIKey
XEACPNJGCWYTPJ-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2S
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.11979803
Overview
structure given in first source
Names & identifiers
- Preferred name
- 2-(((6-Methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-N,N-dimethylbenzenamine
- IUPAC
- 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylaniline
- English name
- NC-1300-B
- Molecular formula
- C17H19N3O2S
- Molecular weight
- 329.42
Names & synonyms
104340-41-2NC 1300BNC-1300BNC 1300 BRefChem:9089452-(((6-Methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-N,N-dimethylbenzenamineNC-1300-B2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-N,N-dimethylanilineBENZENAMINE,2-[[(6-METHOXY-1H-BENZIMIDAZOL-2-YL)SULFINYL]METHYL]-N,N-DIMETHYL-SCHEMBL6480755SCHEMBL9395894DTXSID30908929
Show more names
2-(2-DIMETHYLAMINOBENZYLSULFINYL)-5-METHOXYBENZIMIDAZOLEBenzenamine, 2-[[(6-methoxy-1H-benzimidazol-2-yl)sulfinyl]methyl]-N,N-dimethyl-
2-[(6-Methoxy-1H-1,3-benzimidazole-2-sulfinyl)methyl]-N,N-dimethylaniline2-[(6-Methoxy-1H-benzimidazole-2-sulfinyl)methyl]-N,N-dimethylanilineBenzenamine, 2-(((5-methoxy-1H-benzimidazol-2-yl)sulfinyl)methyl)-N,N-dimethyl-
Database identifiers
- CAS
104340-41-2- PubChem CID
- 4445
- DTXSID
DTXSID30908929- Nikkaji
- J747.478D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Physicochemical properties
- Melting point
- 109 °C · 109 °C
- Boiling point
- 581.6 · 581.6±60.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 8.94 · 8.94±0.10(Predicted)
Chemistry & industry
Applications
UsesNC-1300-B is an active compound.
Suppliers5 total
KAMIYA[email protected]
CHEMICAL LAND21[email protected]
3B Scientific Corporation[email protected]
NOVABIO[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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