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S-Methylisothiourea Sulfate - 10mM in Water, high purity , CAS No.867-44-7
Highly selective iNOS inhibitor
Basic Description
Synonyms
867-44-7 | S-Methylisothiourea hemisulfate | S-Methylisothiourea sulfate | S-Methylisothiourea hemisulfate salt | Carbamimidothioic acid, methyl ester, sulfate (2:1) | 2-Methyl-2-thiopseudourea hemisulfate | Bis(S-methylisothiouronium) sulfate | S-Methylisothiourea sul
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
Highly selective, potent competitive inhibitor of iNOS.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Organic sulfuric acids and derivatives
Subclass
Organic sulfuric acids
Intermediate Tree Nodes
Not available
Direct Parent
Organic sulfuric acids
Alternative Parents
Isothioureas Sulfenyl compounds Carboximidamides Organopnictogen compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Sulfuric acid - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Imine - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as organic sulfuric acids. These are organic compounds containing the sulfuric acid functional group, with the generic structure HOS(=O)(=O)OH.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl carbamimidothioate;sulfuric acid
INCHI
InChI=1S/2C2H6N2S.H2O4S/c2*1-5-2(3)4;1-5(2,3)4/h2*1H3,(H3,3,4);(H2,1,2,3,4)
InChIKey
BZZXQZOBAUXLHZ-UHFFFAOYSA-N
Smiles
CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
Isomeric SMILES
CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
WGK Germany
3
RTECS
UM9200000
Molecular Weight
278.36
Beilstein
3717365
Reaxy-Rn
3917217
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3917217&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Hygroscopic
Melt Point(°C)
240-241°C
Molecular Weight
278.400 g/mol
XLogP3
Hydrogen Bond Donor Count
6
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
2
Exact Mass
278.018 Da
Monoisotopic Mass
278.018 Da
Topological Polar Surface Area
233.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
124.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
3
Citations of This Product
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1 Citations