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methyl 2-amino-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

methyl 2-amino-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

CAS: 351981-10-7

Formula: C15H23NO2S

SMILES: CCC(C)(C)C1CCC2=C(C1)SC(N)=C2C(=O)OC

IUPAC: methyl 2-amino-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

InChI: InChI=1/C15H23NO2S/c1-5-15(2,3)9-6-7-10-11(8-9)19-13(16)12(10)14(17)18-4/h9H,5-8,16H2,1-4H3

Composition: C (64.02%), H (8.24%), N (4.98%), O (11.37%), S (11.39%)

Molar Mass: 281.41

Atom Count: 42

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.144950159
Formal Charge 0
FSP3 0.67
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LPKSLOJMDBPGDS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 79.24
Topological Polar Surface Area 52.32
Polarizability 30.24
Ring Count 2
Rotatable Bond Count 4

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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 351981-10-7 $65.00$65.00
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MATRIX SCIENTIFIC
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 351981-10-7 $202.14$202.14
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