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ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

CAS: 859522-19-3

Formula: C7H10N2O2S2

SMILES: CCOC(=O)CSC1=CN=C(N)S1

IUPAC: ethyl 2-[(2-amino-1,3-thiazol-5-yl)sulfanyl]acetate

InChI: InChI=1S/C7H10N2O2S2/c1-2-11-5(10)4-12-6-3-9-7(8)13-6/h3H,2,4H2,1H3,(H2,8,9)

Composition: C (38.52%), H (4.62%), N (12.83%), O (14.66%), S (29.37%)

Molar Mass: 218.29

Atom Count: 23

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.018369918
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QRIYTBYTQBRMNL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.11
Topological Polar Surface Area 65.21
Polarizability 20.53
Ring Count 1
Rotatable Bond Count 5

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