Name: Name:1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-
Brand: Angene
SKU: AG00I6LL
Rating: 90 (10 reviews)

1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-

CAS No.:

33509-43-2

Catalog Number:

AG00I6LL

Molecular Formula:

C7H12N4OS

Molecular Weight:

200.2614

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Product Description

Catalog Number:

AG00I6LL

Chemical Name:

1,2,4-Triazin-5(2H)-one,4-amino-6-(1,1-dimethylethyl)-3,4-dihydro-3-thioxo-

CAS Number:

33509-43-2

Molecular Formula:

C7H12N4OS

Molecular Weight:

200.2614

MDL Number:

MFCD00225752

IUPAC Name:

4-amino-6-tert-butyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

InChI:

InChI=1S/C7H12N4OS/c1-7(2,3)4-5(12)11(8)6(13)10-9-4/h8H2,1-3H3,(H,10,13)

InChI Key:

OFKAVNQBCRJBJE-UHFFFAOYSA-N

SMILES:

Nn1c(S)nnc(c1=O)C(C)(C)C

EC Number:

251-548-4

UNII:

M0G5E4GKE3

Properties

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.073g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.26g/mol

Monoisotopic Mass:

200.073g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

103A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6

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

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