3- (Bromomethyl) -1lambda6-thiolane-1,1-dione

CAT: 0127-OR72062-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR72062-01Size:250 mg

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CAS Number

321979-37-7

MDL Number

MFCD01112768

Purity

=95%

Smiles

BrCC1CCS(=O)(=O)C1

Chemical Information

3-(Bromomethyl)-1lambda6-thiolane-1,1-dione

CAS Number	321979-37-7
PubChem CID	21178492
IUPAC Name	3-(bromomethyl)thiolane 1,1-dioxide
Molecular Formula	C5H9BrO2S
Molecular Weight	213.10
XLogP	0.8
Topological Polar Surface Area	42.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	180

SMILES

C1CS(=O)(=O)CC1CBr

InChI

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

InChIKey

WIWBGPFHCBCIHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 321979-37-7

CID: 21178492

Formula: C5H9BrO2S

MW: 213.10

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.10
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	211.95066
Monoisotopic Mass	211.95066
Topological Polar Surface Area	42.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	180
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR84517-01	3- (4-Methyl-5-sulfanyl-4h-1,2,4-triazol-3-yl) -1lambda6-thiolane-1,1-dione
OR1068317-01	5-Phenyl-1lambda6,2-thiazolidine-1,1-dione
OR32803-01	4- (Piperidin-1-yl) -1lambda6-thiomorpholine-1,1-dione
OR32567-01	4-[ (4-Chlorophenyl) methoxy]-1lambda6-thiomorpholine-1,1-dione
PC107249	3-[ (4-Fluorobenzene) sulfonyl]-1-lamnda-6-thiolane-1,1-dione
OR77648-01	2- (4-Aminophenyl) -1lambda6,2-thiazinane-1,1-dione
PC107274	3-{[ (3-Fluorophenyl) methyl]amino}-1-lamnda^6-thiolane-1,1-dione
OR32801-01	4- (Morpholin-4-yl) -1lambda6-thiomorpholine-1,1-dione
PC107277	3-{[ (4-Fluorophenyl) methyl]amino}-1-lamnda^6-thiolane-1,1-dione
PC107248	3-[ (4-Fluoro-3-methylbenzene) sulfonyl]-1-lamnda^6-thiolane-1,1-dione

Catalog	Name
AP KR 0299-01	2- (bromomethyl) -1,4-dihydroxyanthracene-9,10-dione
AP KR 0449-01	2-bromo-3- (bromomethyl) -5-methoxynaphthalene-1,4-dione
FBA80071-01	1- (Bromomethyl) -1-methoxycyclobutane
JBD33604-01	1- (Bromomethyl) -1-methanesulfonylcyclohexane
IRA30748-01	1- (Bromomethyl) -1-methylcyclohexane
AAC24335-01	1- (Bromomethyl) -1-methoxycyclopentane
DFC80951-01	1- (Bromomethyl) -1-chlorocyclopropane
SAA17100-01	1- (Bromomethyl) -1-fluorocyclohexane
SBA08219-01	1- (Bromomethyl) -1-methylcyclopropane
ZZB42225-01	1- (Bromomethyl) -1-ethoxycyclopentane