2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide - CAS 40106-12-5
Catalog: |
BB046875 |
Product Name: |
2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
CAS: |
40106-12-5 |
Synonyms: |
NSC727447; 2-amino-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxamide; 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid amide |
IUPAC Name: | 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
Description: | 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS# 40106-12-5 ) is a useful research chemical. |
Molecular Weight: | 210.30 |
Molecular Formula: | C10H14N2OS |
Canonical SMILES: | C1CCC2=C(CC1)SC(=C2C(=O)N)N |
InChI: | InChI=1S/C10H14N2OS/c11-9(13)8-6-4-2-1-3-5-7(6)14-10(8)12/h1-5,12H2,(H2,11,13) |
InChI Key: | LULYZYNTDPUEKK-UHFFFAOYSA-N |
Boiling Point: | 347.5 ℃ at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.278 g/cm3 |
Solubility: | Soluble in DMSO |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 210.08268425 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 210.08268425 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 97.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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