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3-(bromomethyl)-2,5-dihydro-1??-thiophene-1,1-dione

3-(bromomethyl)-2,5-dihydro-1??-thiophene-1,1-dione

CAS: 31554-48-0

Formula: C5H7BrO2S

SMILES: BrCC1=CCS(=O)(=O)C1

IUPAC: 3-(bromomethyl)-2,5-dihydro-1??-thiophene-1,1-dione

InChI: InChI=1S/C5H7BrO2S/c6-3-5-1-2-9(7,8)4-5/h1H,2-4H2

Composition: C (28.45%), H (3.34%), Br (37.86%), O (15.16%), S (15.19%)

Molar Mass: 211.07

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 209.935014
Formal Charge 0
FSP3 0.6
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OQRRQSOMYYJAFE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.81
Topological Polar Surface Area 34.14
Polarizability 16.08
Ring Count 1
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 31554-48-0 $125.35-$378.35$125.35$378.35
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