Name: Name:3-chloro-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene
Brand: Angene
SKU: AG019OK3
Rating: 90 (10 reviews)

3-chloro-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene

CAS No.:

867311-51-1

Catalog Number:

AG019OK3

Molecular Formula:

C12H13ClN2S

Molecular Weight:

252.7630

Catalog Number:

AG019OK3

Chemical Name:

3-chloro-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.0,2,7]tetradeca-1(9),2,4,6-tetraene

CAS Number:

867311-51-1

Molecular Formula:

C12H13ClN2S

Molecular Weight:

252.7630

MDL Number:

MFCD07339310

IUPAC Name:

3-chloro-5-methyl-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),3,5-tetraene

InChI:

InChI=1S/C12H13ClN2S/c1-7-14-11(13)10-8-5-3-2-4-6-9(8)16-12(10)15-7/h2-6H2,1H3

InChI Key:

FCVCCAFFZXPKGV-UHFFFAOYSA-N

SMILES:

Cc1nc(Cl)c2c(n1)sc1c2CCCCC1

Complexity:

263

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.049g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.76g/mol

Monoisotopic Mass:

252.049g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.7