My_ChemCD

477331-49-0
3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

Directory: 1. Identification; 2. ChemicalProperties; 3. MaterialMSDS; 4. CMLFile; 5. SuppliersList; 6. Relatedproducts

Name

3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

pro_formula

C25 H24 N2 O2 S2

pro_molWeight

448.609

pro_cdbregno

CCD00366201

CAS

477331-49-0

MDL

MFCD03223481

1Identification

【Name】

3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

【CAS】

477331-49-0

【MDL】

MFCD03223481

【中文同义词】

【EnglishSynonyms】

3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

【pro_formula】

C25 H24 N2 O2 S2

【pro_molWeight】

448.609

【Inchi】

InChI=1S/C25H24N2O2S2/c1-16-7-3-4-8-17(16)15-30-25-26-23-22(20-9-5-6-10-21(20)31-23)24(28)27(25)18-11-13-19(29-2)14-12-18/h3-4,7-8,11-14H,5-6,9-10,15H2,1-2H3

【InChIKey】

InChIKey=ZYMANSLRIUTPTI-UHFFFAOYSA-N

【SMILES】

Cc1ccccc1CSc2nc3c(c4c(s3)CCCC4)c(=O)n2c5ccc(cc5)OC

【MOL File】

3-(4-METHOXYPHENYL)-….mol

2ChemicalProperties

【ComputedProperties】

pro_donors:0

pro_acceptors:4

XLogP3:7.0

Bulk/Fine:F

3MaterialMSDS

4CMLFile

3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE.cml

quick_release

SuppliersList

Sigma-Aldrich Corporation
pro_catalogNo:L245054-1EA 10MG
CountryRegion:US
BusinessType:ReagentCompany
http://www.sigma-aldrich.com

More 477331-49-0 select_supply>>

477331-49-0 3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE

1Identification

【Name】

【CAS】

【MDL】

【中文同义词】

【EnglishSynonyms】

【pro_formula】

【pro_molWeight】

【Inchi】

【InChIKey】

【SMILES】

【MOL File】

2ChemicalProperties

【ComputedProperties】

3MaterialMSDS

4CMLFile

SuppliersList

Relatedproducts

477331-49-0
3-(4-METHOXYPHENYL)-2-[(2-METHYLBENZYL)SULFANYL]-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE