Name: Name:5-Pyrimidinecarboxaldehyde,4-chloro-6-(dimethylamino)-2-(methylthio)-
Brand: Angene
SKU: AG00I8FQ
Rating: 90 (10 reviews)

5-Pyrimidinecarboxaldehyde,4-chloro-6-(dimethylamino)-2-(methylthio)-

CAS No.:

445040-58-4

Catalog Number:

AG00I8FQ

Molecular Formula:

C8H10ClN3OS

Molecular Weight:

231.7025

Catalog Number:

AG00I8FQ

Chemical Name:

5-Pyrimidinecarboxaldehyde,4-chloro-6-(dimethylamino)-2-(methylthio)-

CAS Number:

445040-58-4

Molecular Formula:

C8H10ClN3OS

Molecular Weight:

231.7025

MDL Number:

MFCD01100877

IUPAC Name:

4-chloro-6-(dimethylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde

InChI:

InChI=1S/C8H10ClN3OS/c1-12(2)7-5(4-13)6(9)10-8(11-7)14-3/h4H,1-3H3

InChI Key:

LLBHOLZLLXNOBQ-UHFFFAOYSA-N

SMILES:

CSc1nc(N(C)C)c(c(n1)Cl)C=O

Complexity:

205

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

231.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

231.698g/mol

Monoisotopic Mass:

231.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

71.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9