2- (2-Bromoethyl) -1,3-dithiolane

CAT: 0926-MMA58133-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-MMA58133-01Size:50 mg

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CAS Number

312581-33-2

MDL Number

MFCD24464664

Smiles

C1CSC (S1) CCBr

Molecular Formula

C5H9BrS2

Molecular Weight

213.2 g/mol

Controlled

Chemical Information

2-(2-Bromoethyl)-1,3-dithiolane

CAS Number	312581-33-2
PubChem CID	12080995
IUPAC Name	2-(2-bromoethyl)-1,3-dithiolane
Molecular Formula	C5H9BrS2
Molecular Weight	213.2
XLogP	2.6
Topological Polar Surface Area	50.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	8
Formal Charge	0
Complexity	61

SMILES

C1CSC(S1)CCBr

InChI

InChI=1S/C5H9BrS2/c6-2-1-5-7-3-4-8-5/h5H,1-4H2

InChIKey

FBDKRVBTKUEMTH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 312581-33-2

CID: 12080995

Formula: C5H9BrS2

MW: 213.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.2
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	211.93291
Monoisotopic Mass	211.93291
Topological Polar Surface Area	50.6 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	61.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HDA43619-01	2- (3-Methoxyphenyl) -1,3-dithiolane
FAA61665-01	1,3-Dithiolane-2-carboxylic acid
XAA06862-01	2- (4-Hydroxy-3-methoxyphenyl) -1,3-dithiolane
CJB21813-01	2- (4-Chloro-3-nitrophenyl) -1,3-dithiolane
FB157074-01	2- (2-Bromoethyl) -1,3-dioxane
KAC79092-01	2- (2-Bromoethyl) -1,3-difluorobenzene
FB35778-01	2- (2-Bromoethyl) -1,3-dioxolane
KCD98770-01	3- (2-Bromoethyl) -1,2-benzothiazole
BFA16329-01	1- (2-Bromoethyl) -2,3-difluorobenzene
NEA21210-01	2- (1-Bromoethyl) -1,3-difluorobenzene

Catalog	Name
OR1065402-01	2-Phenyl-1,3-dithiolane
sc-274996	2-Methyl-1,3-dithiolane
426773-01	3,3-Dimethyl-1,2-dithiolane
TRC-D904150-75MG	1,2-Dithiolane-3-methanamine Hydrochloride
TRC-D904170-75MG	1,2-Dithiolane-3-propanamine Hydrochloride
sc-239882	Ethyl 1,3-dithiolane-2-carboxylate
426730-01	3,3- (Dimethyl-d3) -1,2-dithiolane
TRC-D461982-100MG	3,3-(Dimethyl-d3)-1,2-dithiolane
sc-339835A	2- (4-chloro-3-nitrophenyl) -1,3-dithiolane
D8800-01	(R) - (+) -1,2-Dithiolane-3-Pentanoic Acid