methyl 3-iodothiophene-2-carboxylate

methyl 3-iodothiophene-2-carboxylate

CAS: 62353-77-9

Formula: C6H5IO2S

SMILES: COC(=O)C1=C(I)C=CS1

IUPAC: methyl 3-iodothiophene-2-carboxylate

InChI: InChI=1S/C6H5IO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3

Composition: C (26.88%), H (1.88%), I (47.34%), O (11.94%), S (11.96%)

Molar Mass: 268.07

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	267.9055
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	OQVZCJDXKDUWDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.34
Topological Polar Surface Area	26.3
Polarizability	18.89
Ring Count	1
Rotatable Bond Count	2

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