Benzo[c]isothiazol-5-ylmethanol - CAS 1352443-40-3
Catalog: |
BB073417 |
Product Name: |
Benzo[c]isothiazol-5-ylmethanol |
CAS: |
1352443-40-3 |
Synonyms: |
Benzo[c]isothiazol-5-ylmethanol; 2,1-benzothiazol-5-ylmethanol |
IUPAC Name: | 2,1-benzothiazol-5-ylmethanol |
Molecular Weight: | 165.21 |
Molecular Formula: | C8H7NOS |
Canonical SMILES: | C1=CC2=NSC=C2C=C1CO |
InChI: | InChI=1S/C8H7NOS/c10-4-6-1-2-8-7(3-6)5-11-9-8/h1-3,5,10H,4H2 |
InChI Key: | LUEXBMVBKKQHKP-UHFFFAOYSA-N |
Complexity: | 142 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.02483502 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.02483502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 61.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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