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(S)-Methylisothiourea sulfate

CAT: 0607-B6447-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B6447-50Size:50 mg
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Description
A potent, selective and competitive iNOS inhibitor
CAS Number
867-44-7
Product Name Alternative
methyl carbamimidothioate hemisulfate
Field of Research
Others iNOS
Purity
0.9972
Form
A solid
Solubility
insoluble in EtOH; insoluble in DMSO; ≥11.9 mg/mL in H2O
Smiles
NC(SC)=N.NC(SC)=N.OS(O)(=O)=O
Molecular Formula
C4H14N4O4S3
Molecular Weight
278.36
Shipping Conditions
Room Temperature
Storage Conditions
Store at RT.

Chemical Information

Bis(S-methylisothiouronium) sulfate

See also: 2-Methyl-2-thiopseudourea (annotation moved to) ... View More ...

CAS Number867-44-7
PubChem CID13347
IUPAC Namemethyl carbamimidothioate;sulfuric acid
Molecular FormulaC4H14N4O4S3
Molecular Weight278.4
Topological Polar Surface Area233
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity124
SMILES
CSC(=N)N.CSC(=N)N.OS(=O)(=O)O
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
Chemical Structure
2D Structure
2D structure of Bis(S-methylisothiouronium) sulfate
CAS: 867-44-7
CID: 13347
Formula: C4H14N4O4S3
MW: 278.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass278.01771846
Monoisotopic Mass278.01771846
Topological Polar Surface Area233 Ų
Heavy Atom Count15
Formal Charge0
Complexity124
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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