Text Search
Structure Search

ethyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

ethyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 329222-94-8

Formula: C13H19NO2S

SMILES: CCOC(=O)C1=C(N)SC2=C1CCC(CC)C2

IUPAC: ethyl 2-amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C13H19NO2S/c1-3-8-5-6-9-10(7-8)17-12(14)11(9)13(15)16-4-2/h8H,3-7,14H2,1-2H3

Composition: C (61.63%), H (7.56%), N (5.53%), O (12.63%), S (12.65%)

Molar Mass: 253.36

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 253.11365003
Formal Charge 0
FSP3 0.62
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey KECVYBAUBFEMBT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.37
Topological Polar Surface Area 52.32
Polarizability 26.57
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 329222-94-8 $202.14$202.14
Request Quote