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SU 3327

CAT: 0926-BS175963-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-BS175963-02Size:50 mg
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CAS Number
40045-50-9
Synonyms
5-[ (5-Nitro-2-thiazolyl) thio]-1,3,4thiadiazol-2-amine; Halicin
Smiles
C1=C (SC (=N1) SC2=NN=C (S2) N) [N+] (=O) [O-]
Molecular Formula
C5H3N5O2S3
Molecular Weight
261.31 g/mol
Controlled
No

Chemical Information

5-((5-Nitro-1,3-thiazol-2-yl)sulfanyl)-1,3,4-thiadiazol-2-amine

Halicin is a member of the class of thiadiazoles that is 1,3,4-thiadiazol-2-amine which is substituted by a (5-nitro-1,3-thiazol-2-yl)sulfanediyl group at position 5. It is a c-Jun N-terminal kinase inhibitor (IC50 = 0.7uM) and exhibits antibacterial properties. It has a role as an antibacterial agent and a c-Jun N-terminal kinase inhibitor. It is an organic sulfide, a C-nitro compound, a member of thiadiazoles, a member of 1,3-thiazoles and a primary amino compound.

CAS Number40045-50-9
PubChem CID11837140
IUPAC Name5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-1,3,4-thiadiazol-2-amine
Molecular FormulaC5H3N5O2S3
Molecular Weight261.3
XLogP1.9
Topological Polar Surface Area192
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity251
SMILES
C1=C(SC(=N1)SC2=NN=C(S2)N)[N+](=O)[O-]
InChI
InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)
InChIKey
NQQBNZBOOHHVQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((5-Nitro-1,3-thiazol-2-yl)sulfanyl)-1,3,4-thiadiazol-2-amine
CAS: 40045-50-9
CID: 11837140
Formula: C5H3N5O2S3
MW: 261.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.3
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass260.94488788
Monoisotopic Mass260.94488788
Topological Polar Surface Area192 Ų
Heavy Atom Count15
Formal Charge0
Complexity251
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

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Alternative Products

CatalogName
B7444-50SU 3327
A16039-10SU 3327 10mg
A16039-50SU 3327 50mg
A16039-5SU 3327 5mg
A16039-2SU 3327 2mg
A16039-100SU 3327 100mg
A16039-25SU 3327 25mg
A16039-10mM-DSU 3327 10mM * 1mL in DMSO
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