AG019XIB

Name: 5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Brand: Angene Chemical
SKU: AG019XIB

1221724-54-4 | 5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one

AG019XIB

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CAS Number	1221724-54-4
Catalog Number	AG019XIB
Chemical Name	5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
IUPAC Name	2-ethenyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
InChI	InChI=1S/C12H12N2OS/c1-2-9-13-11(15)10-7-5-3-4-6-8(7)16-12(10)14-9/h2H,1,3-6H2,(H,13,14,15)
InChI Key	OVSHRHXQNLFAKR-UHFFFAOYSA-N
MDL Number	MFCD13368199
Molecular Formula	C12H12N2OS
Molecular Weight	232.3015
SMILES	C=CC1NC(=O)C2=C(SC3=C2CCCC3)N=1
Synonyms	5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-3-one, 1221724-54-4, EN300-55084, 5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one, 5-ethenyl-8-thia-4,6-diazatricyclo[7.4.0.0?,?]trideca-1(9),2(7),5-trien-3-one, AC1Q2AA6, CTK5J3574, ZINC39947128, AKOS033189135, MCULE-7513141459, NE15754, Z1245633380,

Complexity	366
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.067g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	232.301g/mol
Monoisotopic Mass	232.067g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	69.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited