2-Butyl-2-(3-heptanyl)-3-methyl-2,3-dihydro-1,3-benzothiazole
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Basic information
- CAS
123768-36-5- Standard SMILES
CCCCC(CC)C1(CCCC)Sc2ccccc2N1C- InChIKey
UXHOUQUONLJVSN-UHFFFAOYSA-N- Molecular formula
- C19H31NS
- Average molar mass
- 305.5 g/mol
Names & identifiers
- Preferred name
- 2-Butyl-2-(3-heptanyl)-3-methyl-2,3-dihydro-1,3-benzothiazole
- IUPAC
- 2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-butyl-2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)
- Molecular formula
- C19H31NS
- Molecular weight
- 305.52
Names & synonyms
123768-36-5Benzothiazole, 2-butyl-2-(1-ethylpentyl)-2,3-dihydro-3-methyl- (9CI)2-butyl-2-heptan-3-yl-3-methyl-1,3-benzothiazole2-Butyl-2-(3-heptanyl)-3-methyl-2,3-dihydro-1,3-benzothiazoleDB-285854Benzothiazole, 2-butyl-2-(1-ethylpentyl)-2,3-dihydro-3-methyl-
Database identifiers
- CAS
123768-36-5
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
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Compound notes
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