Basic information
- CAS
59898-69-0- Standard SMILES
Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1- InChIKey
YIURYXHWOANFKY-UHFFFAOYSA-N- Molecular formula
- C17H16N2OS2
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.07040549
Names & identifiers
- Preferred name
- 2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
- IUPAC
- 3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-Mercapto-3-p-tolyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one
- Molecular formula
- C17H16N2OS2
- Molecular weight
- 328.45
Names & synonyms
59898-69-02,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo(1)benzothieno(2,3-d)pyrimidin-4(1H)-one2,3,5,6,7,8-Hexahydro-3-(4-methylphenyl)-2-thioxo[1]benzothieno[2,3-d]pyrimidin-4(1H)-oneRefChem:2440692-mercapto-3-p-tolyl-5,6,7,8-tetrahydro-3h-benzo[4,5]thieno[2,3-d]pyrimidin-4-one2-Mercapto-3-(p-tolyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one3-(4-methylphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one3-(4-methylphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one4-(4-methylphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one4-(4-methylphenyl)-5-sulfanylidene-8-thia-4,6-diazatricyclo[7.4.0.0(2),]trideca-1(9),2(7)-dien-3-oneOprea1_138839Oprea1_178075
Show more names
AKOS BBS-00003512[1]Benzothieno[2,3-d]pyrimidin-4(1H)-one, 2,3,5,6,7,8-hexahydro-3-(4-methylphenyl)-2-thioxo-
DTXSID60354293JCA89869SBB080841STK805093AKOS000276250AKOS001632096CS-0219176ST45131386
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 475
Chemistry & industry
Suppliers8 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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