PX-12

CAT: 0127-BUP10448-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP10448-01Size:5 mg

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

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CAS Number

141400-58-0

Synonyms

IV-2, PX12

Purity

=98%

Smiles

CCC(C)SSc1ncc[nH]1

Chemical Information

Px-12

2-(butan-2-yldisulfanyl)-1H-imidazole is a member of imidazoles.

CAS Number	141400-58-0
PubChem CID	219104
IUPAC Name	2-(butan-2-yldisulfanyl)-1H-imidazole
Molecular Formula	C7H12N2S2
Molecular Weight	188.3
XLogP	2.3
Topological Polar Surface Area	79.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	11
Formal Charge	0
Complexity	111

SMILES

CCC(C)SSC1=NC=CN1

InChI

InChI=1S/C7H12N2S2/c1-3-6(2)10-11-7-8-4-5-9-7/h4-6H,3H2,1-2H3,(H,8,9)

InChIKey

BPBPYQWMFCTCNG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 141400-58-0

CID: 219104

Formula: C7H12N2S2

MW: 188.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.3
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	188.04419074
Monoisotopic Mass	188.04419074
Topological Polar Surface Area	79.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	111
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
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BUP17894-01	NP-1815-PX
PC0629	Cefral coat PX-40
PC56220	12,12,12-Trifluorododecane-1-thiol
PC106514	12,12,12-Trifluorododecan-1-ol
BAL331	GSH-Px Assay Kit (Microplate), 1 pack = 100 T
BAL330	GSH-Px Assay Kit (Colorimetry), 1 pack = 50 T
OR1028542-01	12- (Benzyloxy) -12-Oxododecanoic Acid
OR1009331-01	12-Ethoxy-12-Oxododecanoic Acid

Catalog	Name
T2283-01	PX-12
sc-358518	PX 12