Basic information
- CAS
50539-79-2- Standard SMILES
CC1(C)Cc2cccc(OC(=O)NCSc3nc4ccccc4s3)c2O1- InChIKey
HTBZOBNSLMHZDQ-UHFFFAOYSA-N- Molecular formula
- C19H18N2O3S2
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.07588479
Names & identifiers
- Preferred name
- Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester
- IUPAC
- (2,2-dimethyl-3H-1-benzofuran-7-yl) N-(1,3-benzothiazol-2-ylsulfanylmethyl)carbamate
Names & synonyms
BRN 1229184Carbamic acid, (2-benzothiazolylthio)methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester50539-79-2DTXSID20198559(2-Benzothiazolylthio)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl esterRefChem:331921DTXCID301210502,2-Dimethyl-2,3-dihydro-1-benzofuran-7-yl {[(1,3-benzothiazol-2-yl)sulfanyl]methyl}carbamate
Database identifiers
- CAS
50539-79-2- PubChem CID
- 39703
- DTXSID
DTXSID20198559
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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