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Tiotidine

CAT: 0931-T13163-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T13163-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69014-14-8
Target
Others, Histamine Receptor
Related Pathways
Neuroscience, Others, Immunology/Inflammation, GPCR/G Protein
Bioactivity
Tiotidine is a selective histamine H2-receptor antagonist (pA2=7.3-7.8 for guinea-pig right atrium) .
Smiles
CN\C(NC#N)=N/CCSCc1csc(NC(N)=N)n1
Molecular Formula
C10H16N8S2
Molecular Weight
312.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tiotidine

1-cyano-3-[2-[[2-(diaminomethylideneamino)-4-thiazolyl]methylthio]ethyl]-2-methylguanidine is a member of thiazoles.

CAS Number69014-14-8
PubChem CID50287
IUPAC Name1-cyano-3-[2-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]ethyl]-2-methylguanidine
Molecular FormulaC10H16N8S2
Molecular Weight312.4
XLogP-0.4
Topological Polar Surface Area191
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count20
Formal Charge0
Complexity397
SMILES
CN=C(NCCSCC1=CSC(=N1)N=C(N)N)NC#N
InChI
InChI=1S/C10H16N8S2/c1-14-9(16-6-11)15-2-3-19-4-7-5-20-10(17-7)18-8(12)13/h5H,2-4H2,1H3,(H2,14,15,16)(H4,12,13,17,18)
InChIKey
YDDXVAXDYKBWDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tiotidine
CAS: 69014-14-8
CID: 50287
Formula: C10H16N8S2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP3-0.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass312.09393489
Monoisotopic Mass312.09393489
Topological Polar Surface Area191 Ų
Heavy Atom Count20
Formal Charge0
Complexity397
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

Alternative Products

CatalogName
B5021-50Tiotidine
HY-101232R-01Tiotidine (Standard)

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