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ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

CAS: 91711-96-5

Formula: C7H10N2O2S

SMILES: CCOC(=O)C1=CSC(CN)=N1

IUPAC: ethyl 2-(aminomethyl)-1,3-thiazole-4-carboxylate

InChI: InChI=1S/C7H10N2O2S/c1-2-11-7(10)5-4-12-6(3-8)9-5/h4H,2-3,8H2,1H3

Composition: C (45.15%), H (5.41%), N (15.04%), O (17.18%), S (17.22%)

Molar Mass: 186.23

Atom Count: 22

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 186.046298744
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QMHYMKXHCPPBIN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.47
Topological Polar Surface Area 65.21
Polarizability 17.83
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 91711-96-5 $917.70-$3,447.70$917.70$3,447.70
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