2-Mercapto-3-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

Catalog Number

ACM38201615

Product Name

2-Mercapto-3-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one

Structure

CAS

38201-61-5

Category

Heterocyclic Organic Compound

Synonyms

Oprea1_482199, Oprea1_601285, STOCK2S-05875, STOCK3S-03333, MolPort-000-720-995, MolPort-000-874-145, NSC622287, CID736192, STK830533, ZINC00314349, BAS 00513869, LS-41018, AG-690/36991101, (1)Benzothieno(2,3-d)pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-methyl-2-thioxo-, 3-Methyl-2,3,5,6,7,8-hexahydro-2-thioxo-(1)benzothieno(2,3-d)pyrimidin-4(1H)-one, 3-methyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one, 38201-61-5

IUPAC Name

3-methyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

Molecular Weight

252.35578

Molecular Formula

C₁₁H₁₂N₂OS₂

Canonical SMILES

CN1C(=O)C2=C(NC1=S)SC3=C2CCCC3

InChI Key

PFSZMGIUBHSQKS-UHFFFAOYSA-N

Boiling Point

448.3ºC at 760 mmHg

Flash Point

224.9ºC

Density

1.46g/cm³

Exact Mass

252.03900

H-Bond Acceptor

1

H-Bond Donor

1

MSDS

COA

Spec Sheet