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tert-butyl N-(3-iodothiophen-2-yl)carbamate

tert-butyl N-(3-iodothiophen-2-yl)carbamate

CAS: 119485-56-2

Formula: C9H12INO2S

SMILES: CC(C)(C)OC(=O)NC1=C(I)C=CS1

IUPAC: tert-butyl N-(3-iodothiophen-2-yl)carbamate

InChI: InChI=1S/C9H12INO2S/c1-9(2,3)13-8(12)11-7-6(10)4-5-14-7/h4-5H,1-3H3,(H,11,12)

Composition: C (33.24%), H (3.72%), I (39.03%), N (4.31%), O (9.84%), S (9.86%)

Molar Mass: 325.16

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 324.96334
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HKGOIHAFAPMYRQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.98
Topological Polar Surface Area 38.33
Polarizability 25.44
Ring Count 1
Rotatable Bond Count 3

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