Mesna Impurity 11

CAT: 1299-RM-M051911-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-M051911-01Size:10 mg

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CAS Number

82154-73-2

Synonyms

2-bromoethyl carbamimidothioate

Molecular Formula

C3H7BrN2S

Molecular Weight

183.07

Target Alternative Name

Mesna

Product Name Synonym

2-bromoethyl carbamimidothioate

Chemical Information

Bromoethylisothiourea

RN given refers to parentcpd

CAS Number	82154-73-2
PubChem CID	133843
IUPAC Name	2-bromoethyl carbamimidothioate
Molecular Formula	C3H7BrN2S
Molecular Weight	183.07
XLogP	0.9
Topological Polar Surface Area	75.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

C(CBr)SC(=N)N

InChI

InChI=1S/C3H7BrN2S/c4-1-2-7-3(5)6/h1-2H2,(H3,5,6)

InChIKey

ZURWKGUSSLKXNL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 82154-73-2

CID: 133843

Formula: C3H7BrN2S

MW: 183.07

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	183.07
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	181.95133
Monoisotopic Mass	181.95133
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66
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
AR-M04261-01	Mesna Impurity 3
AR-M01458-01	Mesna EP Impurity A
AR-M01457-01	Mesna EP Impurity B
AR-M01459-01	Mesna EP Impurity C
AR-M01456-01	Mesna EP Impurity E
AR-M01460-01	Mesna EP Impurity D
AR-M04264-01	Mesna EP Impurity E Sodium Salt
015990	Mesna