4-bromo-1??-thiane-1,1-dione

4-bromo-1??-thiane-1,1-dione

CAS: 38690-84-5

Formula: C5H9BrO2S

SMILES: BrC1CCS(=O)(=O)CC1

IUPAC: 4-bromo-1??-thiane-1,1-dione

InChI: InChI=1S/C5H9BrO2S/c6-5-1-3-9(7,8)4-2-5/h5H,1-4H2

Composition: C (28.18%), H (4.26%), Br (37.50%), O (15.02%), S (15.05%)

Molar Mass: 213.09

Atom Count: 18

Heavy Atom Count: 9

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	211.950664
Formal Charge	0
FSP3	1
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	OSWSSZXHGBDQIH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.13
Topological Polar Surface Area	34.14
Polarizability	16.34
Ring Count	1
Rotatable Bond Count	0

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97%	<2 Days	38690-84-5		$143.75-$2,290.80$143.75$171.35$227.70$342.70$569.25$2,290.80