Name: Name:2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[[(4-chlorophenyl)amino]thioxomethyl]amino]ethyl]-, (2E)-
Brand: Angene
SKU: AG000CI7
Rating: 90 (10 reviews)

2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[[(4-chlorophenyl)amino]thioxomethyl]amino]ethyl]-, (2E)-

CAS No.:

1164470-53-4

Catalog Number:

AG000CI7

Molecular Formula:

C18H15Cl4N3OS

Molecular Weight:

463.2082

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

5mg

≥98%

1 week

United States

$166

- +

10mg

≥98%

1 week

United States

$232

- +

50mg

99%

1 week

United States

$807

- +

Product Description

Catalog Number:

AG000CI7

Chemical Name:

2-Propenamide, 3-phenyl-N-[2,2,2-trichloro-1-[[[(4-chlorophenyl)amino]thioxomethyl]amino]ethyl]-, (2E)-

CAS Number:

1164470-53-4

Molecular Formula:

C18H15Cl4N3OS

Molecular Weight:

463.2082

MDL Number:

MFCD00361095

IUPAC Name:

(E)-3-phenyl-N-[2,2,2-trichloro-1-[(4-chlorophenyl)carbamothioylamino]ethyl]prop-2-enamide

InChI:

InChI=1S/C18H15Cl4N3OS/c19-13-7-9-14(10-8-13)23-17(27)25-16(18(20,21)22)24-15(26)11-6-12-4-2-1-3-5-12/h1-11,16H,(H,24,26)(H2,23,25,27)/b11-6+

InChI Key:

TVNBASWNLOIQML-IZZDOVSWSA-N

SMILES:

O=C(NC(C(Cl)(Cl)Cl)NC(=S)Nc1ccc(cc1)Cl)/C=C/c1ccccc1

Properties

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

462.966g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

463.198g/mol

Monoisotopic Mass:

460.969g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

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

Properties