Tribromoborane-methyl sulfide

CAT: 0926-FT181900-01Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FT181900-01Size:10 g

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CAS Number

29957-59-3

MDL Number

MFCD00043296

Smiles

C[S+] ([B-] (Br) (Br) Br) C

Molecular Formula

C2H6BBr3S

Molecular Weight

312.66 g/mol

Controlled

Chemical Information

Tribromoborane-methyl sulfide

See also: Boron tribromide dimethyl sulfide complex (annotation moved to); Boron, tribromothiobismethane-, (T-4)- (annotation moved to).

CAS Number	29957-59-3
PubChem CID	4181510
IUPAC Name	tribromo(dimethylsulfonio)boranuide
Molecular Formula	C2H6BBr3S
Molecular Weight	312.66
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	58

SMILES

[B-]([S+](C)C)(Br)(Br)Br

InChI

InChI=1S/C2H6BBr3S/c1-7(2)3(4,5)6/h1-2H3

InChIKey

NCVLHAUANAMSTL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29957-59-3

CID: 4181510

Formula: C2H6BBr3S

MW: 312.66

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.66
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	311.78129
Monoisotopic Mass	309.78334
Topological Polar Surface Area	1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	58.4
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
FC29696-01	2-Chloroethyl methyl sulfide
FAA52319-01	Boron trichloride methyl sulfide complex
RAA15511-01	4- (Methylsulfanyl) benzyl methyl sulfide
IB18585-01	Bicalutamide sulfide
DAA08450-01	Tributylphosphine sulfide
IL24841-01	Lansoprazole sulfide
DAA07013-01	Fensulfothion Oxon Sulfide
FC82708	Chloromethyl Trifluoromethyl Sulfide
FS63123-01	Sodium sulfide nonahydrate
EAA83459-01	2-Chloroallyl phenyl sulfide