2-Bromoethanethiol

CAT: 0127-OR1070183-03Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR1070183-03Size:1 g

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CAS Number

6982-46-3

MDL Number

MFCD20622148

Purity

97%

Smiles

SCCBr

Chemical Information

Ethanethiol, 2-bromo-

CAS Number	6982-46-3
PubChem CID	138893
IUPAC Name	2-bromoethanethiol
Molecular Formula	C2H5BrS
Molecular Weight	141.03
XLogP	1.3
Topological Polar Surface Area	1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	4
Formal Charge	0
Complexity	10

SMILES

C(CBr)S

InChI

InChI=1S/C2H5BrS/c3-1-2-4/h4H,1-2H2

InChIKey

NISIKGZIQILZRC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6982-46-3

CID: 138893

Formula: C2H5BrS

MW: 141.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	141.03
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	139.92953
Monoisotopic Mass	139.92953
Topological Polar Surface Area	1 Å²
Heavy Atom Count	4
Formal Charge	0
Complexity	10
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

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