A-PVT

CAT: 0926-FP45129-02Size: 5 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FP45129-02Size:5 g

Selected

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

Quick Request Actions

CAS Number

1400742-66-6

Synonyms

Alpha-Pyrrolidinopentiothiophenone; alpha-PVT;2- (pyrrolidin-1-yl) -1- (thiophen-2-yl) pentan-1-one

MDL Number

MFCD27923023

Smiles

CCCC (C (=O) C1=CC=CS1) N2CCCC2

Molecular Formula

C13H19NOS

Molecular Weight

237.36 g/mol

Controlled

Yes

Chemical Information

2-(1-Pyrrolidinyl)-1-(2-thienyl)-1-pentanone

CAS Number	1400742-66-6
PubChem CID	71721462
IUPAC Name	2-pyrrolidin-1-yl-1-thiophen-2-ylpentan-1-one
Molecular Formula	C13H19NOS
Molecular Weight	237.36
XLogP	3.5
Topological Polar Surface Area	48.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	16
Formal Charge	0
Complexity	238

SMILES

CCCC(C(=O)C1=CC=CS1)N2CCCC2

InChI

InChI=1S/C13H19NOS/c1-2-6-11(14-8-3-4-9-14)13(15)12-7-5-10-16-12/h5,7,10-11H,2-4,6,8-9H2,1H3

InChIKey

OOSRPGUQJAKBLV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1400742-66-6

CID: 71721462

Formula: C13H19NOS

MW: 237.36

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.36
XLogP3	3.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	237.11873540
Monoisotopic Mass	237.11873540
Topological Polar Surface Area	48.6 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	238
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
469483-01	α-PVT
PSM0446	Pravastatin (PVT) -BSA conjugated antigen
abx055754	Potato Virus T (PVT) ELISA Kit
WM2963-01	U-Blot® pravastatin (PVT) Mouse mAb
SL0053PI-01	Plant Potato Virus T (PVT) ELISA Kit