Compound PDK0055

CAT: 0931-PDK0055-02Size: 2 gDry Ice: NoHazardous: No

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CAT#:0931-PDK0055-02Size:2 g

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CAS Number

13183-79-4

Bioactivity

Compound PDK0055, with CAS No. 13183-79-4, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound PDK0055 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.

Smiles

CN1N=NNC1=S

Molecular Formula

C2H4N4S

Molecular Weight

116.14

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

5-Mercapto-1-methyltetrazole

side chain of several new antibiotics associated with development of hypoprothrombinemia

CAS Number	13183-79-4
PubChem CID	2723772
IUPAC Name	1-methyl-2H-tetrazole-5-thione
Molecular Formula	C2H4N4S
Molecular Weight	116.15
XLogP	1.3
Topological Polar Surface Area	72.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	119

SMILES

CN1C(=S)N=NN1

InChI

InChI=1S/C2H4N4S/c1-6-2(7)3-4-5-6/h1H3,(H,3,5,7)

InChIKey

XOHZHMUQBFJTNH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13183-79-4

CID: 2723772

Formula: C2H4N4S

MW: 116.15

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	116.15
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	116.01566732
Monoisotopic Mass	116.01566732
Topological Polar Surface Area	72.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	119
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

Related Products

Catalog	Name
PDK0053-01	Compound PDK0053
PDK0255-01	Compound PDK0255
PDK0355-01	Compound PDK0355
PDK0085-01	Compound PDK0085
PDK0056-01	Compound PDK0056
PDK0052-01	Compound PDK0052
PDK0005-01	Compound PDK0005
PDK0155-01	Compound PDK0155
PDK0045-01	Compound PDK0045
PDK0058-01	Compound PDK0058

Alternative Products

Catalog	Name
ALX-550-516-M025	Compound A
XXC35825-01	Compound 3a
HY-14176-01	Compound E
255023-01	Compound 401
HY-U00358	Compound 2
1898-200	Compound 34
2573-5	Compound 112254
MBS3613444-01	Compound W
MBS3613725-01	Compound 3344
MBS3613756-01	Compound 23

Compound PDK0055

Chemical Information

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