Name: Name:5-Pyrimidinecarbonitrile, 4-amino-2-(ethylthio)-
Brand: Angene
SKU: AG001V00
Rating: 90 (10 reviews)

5-Pyrimidinecarbonitrile, 4-amino-2-(ethylthio)-

CAS No.:

16462-29-6

Catalog Number:

AG001V00

Molecular Formula:

C7H8N4S

Molecular Weight:

180.2302

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG001V00

Chemical Name:

5-Pyrimidinecarbonitrile, 4-amino-2-(ethylthio)-

CAS Number:

16462-29-6

Molecular Formula:

C7H8N4S

Molecular Weight:

180.2302

MDL Number:

MFCD00186087

IUPAC Name:

4-amino-2-ethylsulfanylpyrimidine-5-carbonitrile

InChI:

InChI=1S/C7H8N4S/c1-2-12-7-10-4-5(3-8)6(9)11-7/h4H,2H2,1H3,(H2,9,10,11)

InChI Key:

CDCARNSWXSXOSR-UHFFFAOYSA-N

SMILES:

CCSc1ncc(c(n1)N)C#N

Properties

Complexity:

187

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

180.047g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

180.229g/mol

Monoisotopic Mass:

180.047g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

101A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

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