3-Aminobenzo[b]thiophene-2-carbonitrile - CAS 34761-14-3
Catalog: |
BB022274 |
Product Name: |
3-Aminobenzo[b]thiophene-2-carbonitrile |
CAS: |
34761-14-3 |
Synonyms: |
3-amino-1-benzothiophene-2-carbonitrile; 3-amino-1-benzothiophene-2-carbonitrile |
IUPAC Name: | 3-amino-1-benzothiophene-2-carbonitrile |
Description: | 3-Aminobenzo[b]thiophene-2-carbonitrile (CAS# 34761-14-3) is a useful research chemical. |
Molecular Weight: | 174.22 |
Molecular Formula: | C9H6N2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=C(S2)C#N)N |
InChI: | InChI=1S/C9H6N2S/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2 |
InChI Key: | UJPNEVVIUIZNTR-UHFFFAOYSA-N |
MDL: | MFCD01830421 |
LogP: | 2.93638 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.02516937 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.02516937 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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