Basic information
- CAS
65234-02-8- Standard SMILES
COc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cc1- InChIKey
LYQDUKIEWRXIQB-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2S2
- Average molar mass
- 344.5 g/mol
- Monoisotopic mass
- 344.0653201
Names & identifiers
- Preferred name
- 3-(4-methoxyphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
- IUPAC
- 3-(4-methoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
- English name
- 2-MERCAPTO-3-(4-METHOXY-PHENYL)-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
- Molecular formula
- C17H16N2O2S2
- Molecular weight
- 344.45
Names & synonyms
65234-02-83-(4-methoxyphenyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one2-Mercapto-3-(4-methoxyphenyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one3-(4-methoxyphenyl)-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-oneMFCD016475874-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0(2),]trideca-1(9),2(7),5-trien-3-one4-(4-methoxyphenyl)-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one2-Mercapto-3-(4-methoxy-phenyl)-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d]pyrimidin-4-one3-(4-methoxyphenyl)-2-sulfanyl-3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyr imidin-4-oneOprea1_067204Oprea1_454568MLS000711498
Show more names
AKOS BBS-00003507
SCHEMBL13407759DTXSID20354294QCA23402SBB040417STK805059STL380555AKOS000268512AKOS000294545
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 493
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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