Name: Name:ethyl 6,8-dimethyl-1-oxo-4-sulfanyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate
Brand: Angene
SKU: AG01A7WF
Rating: 90 (10 reviews)

ethyl 6,8-dimethyl-1-oxo-4-sulfanyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

CAS No.:

1221722-36-6

Catalog Number:

AG01A7WF

Molecular Formula:

C11H13N3O3S

Molecular Weight:

267.3042

Catalog Number:

AG01A7WF

Chemical Name:

ethyl 6,8-dimethyl-1-oxo-4-sulfanyl-1H,2H-pyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

CAS Number:

1221722-36-6

Molecular Formula:

C11H13N3O3S

Molecular Weight:

267.3042

MDL Number:

MFCD14705854

IUPAC Name:

ethyl 6,8-dimethyl-1-oxo-4-sulfanylidene-2,3-dihydropyrrolo[1,2-d][1,2,4]triazine-7-carboxylate

InChI:

InChI=1S/C11H13N3O3S/c1-4-17-10(16)7-5(2)8-9(15)12-13-11(18)14(8)6(7)3/h4H2,1-3H3,(H,12,15)(H,13,18)

InChI Key:

JIVFXZJGIBYUMP-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(C)c2n(c1C)c(S)n[nH]c2=O

Complexity:

401

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

267.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

267.303g/mol

Monoisotopic Mass:

267.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5