P-Nitro-Cyclic Pifithrin-a

CAT: 1596-AR-T04831-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-T04831-02Size:25 Units

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CAS Number

60477-38-5

Molecular Formula

C15H13N3O2S

Molecular Weight

299.35

API Name

Thiazole

Chemical Information

2-(4-Nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole

CAS Number	60477-38-5
PubChem CID	4587369
IUPAC Name	2-(4-nitrophenyl)-5,6,7,8-tetrahydroimidazo[2,1-b][1,3]benzothiazole
Molecular Formula	C15H13N3O2S
Molecular Weight	299.3
XLogP	4.4
Topological Polar Surface Area	91.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	21
Formal Charge	0
Complexity	408

SMILES

C1CCC2=C(C1)N3C=C(N=C3S2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O2S/c19-18(20)11-7-5-10(6-8-11)12-9-17-13-3-1-2-4-14(13)21-15(17)16-12/h5-9H,1-4H2

InChIKey

XMFNSEDROOHGBY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 60477-38-5

CID: 4587369

Formula: C15H13N3O2S

MW: 299.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	299.3
XLogP3	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	299.07284784
Monoisotopic Mass	299.07284784
Topological Polar Surface Area	91.4 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	408
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

Catalog	Name
AR-L01316-01	4-Nitro Lenalidomide
AR-D07227-01	4-Nitro-Diphenylamine
AR-A06906-01	4-â€‹Nitro Apremilast
AR-L06058-01	Dexlansoprazole Nitro Sulfoxide
AR-D07226-01	2-Nitro-Diphenylamine
AR-R09971-01	N-Nitro Rasagiline
AR-V06390-01	6-Nitro-Vanillin
AR-C05987-01	Caprolactam Cyclic Hexamer
AR-B05689-01	Brimonidine Cyclic Impurity
AR-S01009-01	Sacubitril Cyclic Impurity

Catalog	Name
sc-222177B	Pifithrin-α, p-nitro, cyclic
BUP04815-01	Pifithrin-a, p-Nitro, Cyclic
C5104-25	p-nitro-Cyclic Pifithrin-α
TRC-N493745-100MG	p-Nitro-Cyclic Pifithrin-alpha
MBS5764627	Pifithrin-alpha, p-Nitro, Cyclic
B2845-5	p-nitro-Pifithrin-α
sc-222176	Pifithrin-α, p-Nitro
MBS5802308	p-nitro-Pifithrin-alpha