ethyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate

ethyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate

CAS: 68195-02-8

Formula: C11H12N2O2S

SMILES: CCOC(=O)CC1=CC=C2N=C(N)SC2=C1

IUPAC: ethyl 2-(2-amino-1,3-benzothiazol-6-yl)acetate

InChI: InChI=1S/C11H12N2O2S/c1-2-15-10(14)6-7-3-4-8-9(5-7)16-11(12)13-8/h3-5H,2,6H2,1H3,(H2,12,13)

Composition: C (55.92%), H (5.12%), N (11.86%), O (13.54%), S (13.57%)

Molar Mass: 236.29

Atom Count: 28

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.061948808
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HBYRGKVSKZCQGF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.13
Topological Polar Surface Area	65.21
Polarizability	24.88
Ring Count	2
Rotatable Bond Count	4

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