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methyl 4-iodo-1,2-thiazole-3-carboxylate

methyl 4-iodo-1,2-thiazole-3-carboxylate

CAS: 397329-61-2

Formula: C5H4INO2S

SMILES: COC(=O)C1=NSC=C1I

IUPAC: methyl 4-iodo-1,2-thiazole-3-carboxylate

InChI: InChI=1S/C5H4INO2S/c1-9-5(8)4-3(6)2-10-7-4/h2H,1H3

Composition: C (22.32%), H (1.50%), I (47.17%), N (5.21%), O (11.89%), S (11.92%)

Molar Mass: 269.06

Atom Count: 14

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 268.90074
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey NDXAPAKRFXGRKU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.01
Topological Polar Surface Area 39.19
Polarizability 18.17
Ring Count 1
Rotatable Bond Count 2

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