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

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

CAS: 99738-99-5

Formula: C10H10N2O2S

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

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

InChI: InChI=1S/C10H10N2O2S/c1-14-9(13)5-6-2-3-7-8(4-6)15-10(11)12-7/h2-4H,5H2,1H3,(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 JUQTXFOOTWCSRK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.38
Topological Polar Surface Area 65.21
Polarizability 23.04
Ring Count 2
Rotatable Bond Count 3

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