Name: Name:6-Amino-2-((4-methylbenzyl)thio)pyrimidin-4(3H)-one
Brand: Angene
SKU: AG001WWZ
Rating: 90 (10 reviews)

6-Amino-2-((4-methylbenzyl)thio)pyrimidin-4(3H)-one

CAS No.:

166751-35-5

Catalog Number:

AG001WWZ

Molecular Formula:

C12H13N3OS

Molecular Weight:

247.3161

Pack Size

Purity

Availability

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Price(USD)

Quantity

95%

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United States

$96

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Catalog Number:

AG001WWZ

Chemical Name:

6-Amino-2-((4-methylbenzyl)thio)pyrimidin-4(3H)-one

CAS Number:

166751-35-5

Molecular Formula:

C12H13N3OS

Molecular Weight:

247.3161

MDL Number:

MFCD02232611

IUPAC Name:

4-amino-2-[(4-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one

InChI:

InChI=1S/C12H13N3OS/c1-8-2-4-9(5-3-8)7-17-12-14-10(13)6-11(16)15-12/h2-6H,7H2,1H3,(H3,13,14,15,16)

InChI Key:

OQQZKAPKMXBJSE-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)CSc1nc(N)cc(=O)[nH]1

Complexity:

357

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.316g/mol

Monoisotopic Mass:

247.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6