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

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

CAS: 83553-47-3

Formula: C6H6INO2S

SMILES: CCOC(=O)C1=CSC(I)=N1

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

InChI: InChI=1S/C6H6INO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3

Composition: C (25.46%), H (2.14%), I (44.83%), N (4.95%), O (11.30%), S (11.33%)

Molar Mass: 283.08

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.91639
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	WUPNJFZQDANBRY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.9
Topological Polar Surface Area	39.19
Polarizability	20.04
Ring Count	1
Rotatable Bond Count	3

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