Name: 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
SKU: AG019XIB
Rating: 90 (10 reviews)

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

CAS No.:

1221724-54-4

Catalog Number:

AG019XIB

Molecular Formula:

C12H12N2OS

Molecular Weight:

232.3015

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

CAS Number:

1221724-54-4

Molecular Formula:

C12H12N2OS

Molecular Weight:

232.3015

MDL Number:

MFCD13368199

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

SMILES:

C=Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3

Complexity:

366

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

232.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

232.301g/mol

Monoisotopic Mass:

232.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5