MES monohydrate

CAT: 0926-FM37015-03Size: 1 KgDry Ice: NoHazardous: No

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CAT#:0926-FM37015-03Size:1 Kg

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CAS Number

145224-94-8

Synonyms

2- (N-Morpholino) ethanesulfonic acid monohydrate

MDL Number

MFCD00149409

Smiles

C1COCCN1CCS (=O) (=O) O.O

Molecular Formula

C6H13NO4S·H2O

Molecular Weight

213.25 g/mol

Controlled

Chemical Information

2-(N-Morpholino)ethanesulfonic acid hydrate

CAS Number	145224-94-8
PubChem CID	16218417
IUPAC Name	2-morpholin-4-ylethanesulfonic acid;hydrate
Molecular Formula	C6H15NO5S
Molecular Weight	213.25
Topological Polar Surface Area	76.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	214

SMILES

C1COCCN1CCS(=O)(=O)O.O

InChI

InChI=1S/C6H13NO4S.H2O/c8-12(9,10)6-3-7-1-4-11-5-2-7;/h1-6H2,(H,8,9,10);1H2

InChIKey

MIIIXQJBDGSIKL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 145224-94-8

CID: 16218417

Formula: C6H15NO5S

MW: 213.25

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	213.25
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	213.06709375
Monoisotopic Mass	213.06709375
Topological Polar Surface Area	76.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	214
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	2
Compound Is Canonicalized	Yes

Catalog	Name
FM31183-01	MES
FT67100-01	Meso-Tartaric acid monohydrate
RAC61559-01	MES hydrate
FE65020-01	Evacetrapib monohydrate
FD10821-01	Dasatinib monohydrate
FC19844	Cefaclor monohydrate
FC15780-01	Creatine monohydrate
FB31874-01	Betaine monohydrate
FAA96784-01	Theophylline monohydrate
FA01469-01	Alloxane monohydrate

Catalog	Name
70074916	5-Methylresorcinol monohydrate (Orcinol monohydrate)
3121985	D-Glucose monohydrate (Dextrose monohydrate)
3121965	Dextrose monohydrate (D-Glucose monohydrate)
3120100	D-Glucose monohydrate IP (Dextrose monohydrate
B3579-5.1	Tacrolimus monohydrate
A4232-50	Cyclophosphamide monohydrate
A3751-100	Regorafenib monohydrate
C6421-100	Creatine monohydrate
C8714-5	Tacalcitol monohydrate
B3356-S	Cefprozil monohydrate