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3-bromo-4-hydroxy-1??-thiolane-1,1-dione

3-bromo-4-hydroxy-1??-thiolane-1,1-dione

CAS: 35330-57-5

Formula: C4H7BrO3S

SMILES: OC1CS(=O)(=O)CC1Br

IUPAC: 3-bromo-4-hydroxy-1??-thiolane-1,1-dione

InChI: InChI=1/C4H7BrO3S/c5-3-1-9(7,8)2-4(3)6/h3-4,6H,1-2H2

Composition: C (22.34%), H (3.28%), Br (37.15%), O (22.32%), S (14.91%)

Molar Mass: 215.06

Atom Count: 16

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 213.929928
Formal Charge 0
FSP3 1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JUROXLRSVVHUOG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 35.53
Topological Polar Surface Area 54.37
Polarizability 15.3
Ring Count 1
Rotatable Bond Count 0

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Life Chemicals USA, Inc.
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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 35330-57-5 $89.10-$697.95$89.10$118.80$161.37$322.74$484.11$697.95
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OTAVA LTD.
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95% <10 Days 35330-57-5 $208.21-$589.43$208.21$256.11$304.00$589.43
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