2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile - CAS 70291-62-2
Catalog: |
BB046860 |
Product Name: |
2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile |
CAS: |
70291-62-2 |
Synonyms: |
2-amino-4H,5H,6H-cyclopenta[b]thiophene-3-carbonitrile; 4H-Cyclopenta[b]thiophene-3-carbonitrile, 2-amino-5,6-dihydro-; 2-Amino-4,5-trimethylene-3-thiophenecarbonitrile; 2-Amino-3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophene; 2-amino-4,5,6-trihydrocyclopenta[1,2-b]thiophene-3-carbonitrile; NSC86940 |
IUPAC Name: | 2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile |
Description: | 2-Amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carbonitrile (CAS# 70291-62-2 ) is a useful research chemical. |
Molecular Weight: | 164.23 |
Molecular Formula: | C8H8N2S |
Canonical SMILES: | C1CC2=C(C1)SC(=C2C#N)N |
InChI: | InChI=1S/C8H8N2S/c9-4-6-5-2-1-3-7(5)11-8(6)10/h1-3,10H2 |
InChI Key: | RILAXFOADRDGPQ-UHFFFAOYSA-N |
Boiling Point: | 379.9±42.0 °C (Predicted) |
Melting Point: | 153-154 °C |
Purity: | > 95 % |
Density: | 1.33±0.1 g/cm3 (Predicted) |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 164.04081944 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 164.04081944 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Related Functional Groups
Amines and Anilines
Thiophenes
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