Methyl carbamimidate sulfate

CAT: 0572-TRC-M078420-10GSize: 10 gDry Ice: NoHazardous: No

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CAT#:0572-TRC-M078420-10GSize:10 g

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CAS Number

29427-58-5

Hazard Statement

No Data Available

Smiles

COC(=N)N.OS(=O)(=O)O

Molecular Formula

C2H8N2O5S

Molecular Weight

172.16

Shipping Conditions

Room Temperature

Chemical Information

Carbamimidic acid, methyl ester, sulfate (1:1)

CAS Number	29427-58-5
PubChem CID	169039
IUPAC Name	methyl carbamimidate;sulfuric acid
Molecular Formula	C2H8N2O5S
Molecular Weight	172.16
Topological Polar Surface Area	142
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	124

SMILES

COC(=N)N.OS(=O)(=O)O

InChI

InChI=1S/C2H6N2O.H2O4S/c1-5-2(3)4;1-5(2,3)4/h1H3,(H3,3,4);(H2,1,2,3,4)

InChIKey

MDFRYRPNRLLJHT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 29427-58-5

CID: 169039

Formula: C2H8N2O5S

MW: 172.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.16
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	172.01539253
Monoisotopic Mass	172.01539253
Topological Polar Surface Area	142 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	124
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
AR-S11018-01	Methyl Sulfate
CS-T-91132	Difenzoquat methyl sulfate
FN40361-01	Neostigmine methyl sulfate
HY-B1206-01	Neostigmine (methyl sulfate)
259866-01	Amezinium Methyl Sulfate
440940-01	Acryloyloxyethyldiethylmethylammonium Methyl Sulfate
IN-0013-TG-0025	Tributylmethylphosphonium methyl sulfate
AR-M03176-01	Sodium Methyl Sulfate
NAA10624-01	Tributylmethylammonium methyl sulfate
sc-251370	Trimethylsulfonium methyl sulfate