Benzothiophene-5-D - CAS 13730-27-3
Catalog: |
BB008538 |
Product Name: |
Benzothiophene-5-D |
CAS: |
13730-27-3 |
Synonyms: |
1-benzothiophene; 1-benzothiophene |
IUPAC Name: | 5-deuterio-1-benzothiophene |
Description: | Benzothiophene-5-D (CAS# 13730-27-3 ) is a useful research chemical. |
Molecular Weight: | 135.20 |
Molecular Formula: | C8H5SD |
Canonical SMILES: | C1=CC=C2C(=C1)C=CS2 |
InChI: | InChI=1S/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H |
InChI Key: | FCEHBMOGCRZNNI-UHFFFAOYSA-N |
LogP: | 2.90130 |
GHS Hazard Statement: | H302 (98.04%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P273, P301+P312, P330, P391, and P501 |
Signal Word: | Warning |
Complexity: | 101 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 134.01902136 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 134.01902136 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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