TD-3

CAT: 0931-T203006-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T203006-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

6440-09-1

Bioactivity

TD-3 is a compound that inhibits the formation of a salt bridge between β-Asp94 and β-His146 in hemoglobin (Hb) by binding to Hb β-Cys93.

Smiles

N1=NNC(SSC2=CN=NN2)=C1

Molecular Formula

C4H4N6S2

Molecular Weight

200.25

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4,4'-Di(1,2,3-triazolyl) Disulfide Hydrate

CAS Number	6440-09-1
PubChem CID	23002801
IUPAC Name	4-(2H-triazol-4-yldisulfanyl)-2H-triazole
Molecular Formula	C4H4N6S2
Molecular Weight	200.3
XLogP	0
Topological Polar Surface Area	134
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	130

SMILES

C1=NNN=C1SSC2=NNN=C2

InChI

InChI=1S/C4H4N6S2/c1-3(7-9-5-1)11-12-4-2-6-10-8-4/h1-2H,(H,5,7,9)(H,6,8,10)

InChIKey

NLSOBKJRPPRVSB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6440-09-1

CID: 23002801

Formula: C4H4N6S2

MW: 200.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	200.3
XLogP3	0
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	199.99388650
Monoisotopic Mass	199.99388650
Topological Polar Surface Area	134 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	130
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Chemical Information

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