2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile - CAS 42225-04-7
Catalog: |
BB046849 |
Product Name: |
2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
CAS: |
42225-04-7 |
Synonyms: |
2-amino-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile; 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carbonitrile, 2-amino-6-methyl- |
IUPAC Name: | 2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile |
Description: | 2-Amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile (CAS# 42225-04-7 ) is a useful research chemical. |
Molecular Weight: | 192.28 |
Molecular Formula: | C10H12N2S |
Canonical SMILES: | CC1CCC2=C(C1)SC(=C2C#N)N |
InChI: | InChI=1S/C10H12N2S/c1-6-2-3-7-8(5-11)10(12)13-9(7)4-6/h6H,2-4,12H2,1H3 |
InChI Key: | VDMBPDMXBJUYMB-UHFFFAOYSA-N |
Boiling Point: | 392.8 °C at 760 mmHg |
Melting Point: | 147-149 °C |
Purity: | ≥ 97 % |
Density: | 1.22 g/cm3 |
Appearance: | Solid |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 245 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.07211956 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.07211956 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 78 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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