AC1LUHKS
4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide
Also Known As: 4-imino-N-(phenylcarbonothioyl)-2-thioxo-1,2,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidine-3(4H)-carboxamide|4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide|4-imino-N-(phenylcarbonothioyl)-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-3(4H)-carboxamide
| Molecular Formula | C18H16N4OS3 |
|---|---|
| Molecular Weight | 400.0486 g/mol |
| LogP | 4.22169 |
| Topological Polar Surface Area | 72.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 400.0486 |
| Monoisotopic Mass | 400.0486 |
| Heavy Atoms | 26 |
| Complexity | 1085.2495 |
Chemical Identifiers
| CAS Number | 330180-08-0 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N(C(=S)N=C3S2)C(=O)NC(=S)C4=CC=CC=C4)N |
Product Overview
AC1LUHKS (CAS 330180-08-0), with molecular formula C18H16N4OS3 and molecular weight 400.0486 g/mol. IUPAC: 4-amino-N-(benzenecarbonothioyl)-2-sulfanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine-3-carboxamide.
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