ChemDiv3_001234
2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid
Also Known As: ChemDiv3_001234|IDI1_020200|NCGC00172863-01|(2-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)-acetic acid|SR-01000108393-1|(2-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetic acid|BRD-K49875192-001-01-9|F0825-0488|2-((2-methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-yl)thio)acetic acid|2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid|(2-Methyl-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ylsulfanyl)acetic acid|[(2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid|2-(2-methyl-5,6,7,8-tetrahydrobenzo[b]thiopheno[3,2-e]pyrimidin-4-ylthio)aceti c acid
| Molecular Formula | C13H14N2O2S2 |
|---|---|
| Molecular Weight | 294.04968 g/mol |
| LogP | 3.05522 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.04968 |
| Monoisotopic Mass | 294.04968 |
| Heavy Atoms | 19 |
| Complexity | 651.6209 |
Chemical Identifiers
| CAS Number | 301357-21-1 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=N1)SCC(=O)O |
Product Overview
ChemDiv3_001234 (CAS 301357-21-1), with molecular formula C13H14N2O2S2 and molecular weight 294.04968 g/mol. IUPAC: 2-[(2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)sulfanyl]acetic acid.
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