Name: Name:[(3-ETHYL-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMID+
Brand: Angene
SKU: AG01EKQK
Rating: 90 (10 reviews)

[(3-ETHYL-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMID+

CAS No.:

314041-85-5

Catalog Number:

AG01EKQK

Molecular Formula:

C13H14N2O3S2

Molecular Weight:

310.3919

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Purity

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Product Description

Catalog Number:

AG01EKQK

Chemical Name:

[(3-ETHYL-4-OXO-3,5,6,7-TETRAHYDRO-4H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMID+

CAS Number:

314041-85-5

Molecular Formula:

C13H14N2O3S2

Molecular Weight:

310.3919

MDL Number:

MFCD01470980

IUPAC Name:

2-[(11-ethyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid

InChI:

InChI=1S/C13H14N2O3S2/c1-2-15-12(18)10-7-4-3-5-8(7)20-11(10)14-13(15)19-6-9(16)17/h2-6H2,1H3,(H,16,17)

InChI Key:

QTVKEYJYFWVVFS-UHFFFAOYSA-N

SMILES:

CCn1c(SCC(=O)O)nc2c(c1=O)c1CCCc1s2

Properties

Complexity:

469

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

310.045g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

310.386g/mol

Monoisotopic Mass:

310.045g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

124A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5

Literature

Title	Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501