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ethyl 2-amino-1,3-benzothiazole-7-carboxylate

ethyl 2-amino-1,3-benzothiazole-7-carboxylate

CAS: 677304-89-1

Formula: C10H10N2O2S

SMILES: CCOC(=O)C1=C2SC(N)=NC2=CC=C1

IUPAC: ethyl 2-amino-1,3-benzothiazole-7-carboxylate

InChI: InChI=1S/C10H10N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)15-10(11)12-7/h3-5H,2H2,1H3,(H2,11,12)

Composition: C (54.04%), H (4.54%), N (12.60%), O (14.40%), S (14.42%)

Molar Mass: 222.26

Atom Count: 25

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 222.046298744
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JJJDYTDZPDRXCF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.08
Topological Polar Surface Area 65.21
Polarizability 23.03
Ring Count 2
Rotatable Bond Count 3

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98% <5 Days 677304-89-1 $84.49-$337.95$84.49$337.95
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