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MS21570

CAT: 0931-T5828-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T5828-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
65373-29-7
Target
GPCR
Related Pathways
GPCR/G Protein, Endocrinology/Hormones
Purity
0.98
Bioactivity
MS21570 as a GPR171 antagonist based on its ability to block, with an IC50 of 220 Nm, that reduces anxiety-like behavior and fear conditioning in mice.
Smiles
CNc1nnc(SCc2ccccc2)s1
Molecular Formula
C10H11N3S2
Molecular Weight
237.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

5-(benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CAS Number65373-29-7
PubChem CID805117
IUPAC Name5-benzylsulfanyl-N-methyl-1,3,4-thiadiazol-2-amine
Molecular FormulaC10H11N3S2
Molecular Weight237.3
XLogP3
Topological Polar Surface Area91.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity186
SMILES
CNC1=NN=C(S1)SCC2=CC=CC=C2
InChI
InChI=1S/C10H11N3S2/c1-11-9-12-13-10(15-9)14-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,12)
InChIKey
KFLNRVSOQJTXDG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(benzylthio)-N-methyl-1,3,4-thiadiazol-2-amine
CAS: 65373-29-7
CID: 805117
Formula: C10H11N3S2
MW: 237.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight237.3
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass237.03943971
Monoisotopic Mass237.03943971
Topological Polar Surface Area91.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity186
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T28114-01MS2177

Alternative Products

CatalogName
A9037-10MS21570
A19894-100MS21570 100mg
A19894-50MS21570 50mg
A19894-25MS21570 25mg
A19894-10MS21570 10mg
A19894-5MS21570 5mg
A19894-10mM-DMS21570 10mM * 1mL in DMSO

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