Name: Name:di-tert-butyl 2-thioxodihydropyrimidine-1,3(2H,4H)-dicarboxylate
Brand: Angene
SKU: AG01BKFM
Rating: 90 (10 reviews)

di-tert-butyl 2-thioxodihydropyrimidine-1,3(2H,4H)-dicarboxylate

CAS No.:

173300-85-1

Catalog Number:

AG01BKFM

Molecular Formula:

C14H24N2O4S

Molecular Weight:

316.4164

Catalog Number:

AG01BKFM

Chemical Name:

di-tert-butyl 2-thioxodihydropyrimidine-1,3(2H,4H)-dicarboxylate

CAS Number:

173300-85-1

Molecular Formula:

C14H24N2O4S

Molecular Weight:

316.4164

MDL Number:

MFCD24466221

IUPAC Name:

ditert-butyl 2-sulfanylidene-1,3-diazinane-1,3-dicarboxylate

InChI:

InChI=1S/C14H24N2O4S/c1-13(2,3)19-11(17)15-8-7-9-16(10(15)21)12(18)20-14(4,5)6/h7-9H2,1-6H3

InChI Key:

VLDPGLLUMUWOQG-UHFFFAOYSA-N

SMILES:

O=C(N1CCCN(C1=S)C(=O)OC(C)(C)C)OC(C)(C)C

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

316.146g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

316.416g/mol

Monoisotopic Mass:

316.146g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8