Thiamylal
5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: thiamylal|Thioseconal|Surital|Thioquinalbarbitone|Thiamylal [USAN]|Thiamylal sodium|Thiamylal [USP]|Thiamylal RS|Bio-Tal|Surital (TN)|Spectrum_001812|THIAMYLAL [MI]|Spectrum2_000384|Spectrum3_001782|Spectrum4_000577|Spectrum5_001901|THIAMYLAL [VANDF]|5-Allyl-5-(1-methylbutyl)-2-thiobarbituric acid|THIAMYLAL [WHO-DD]|DEA No. 2100|BSPBio_003303|KBioGR_001014|KBioSS_002307|DivK1c_000990|Thiamylal, analytical standard|EINECS 201-018-3|SPBio_000567|GTPL7305|KBio1_000990|KBio2_002305|KBio2_004873|KBio2_007441|KBio3_002805
| Molecular Formula | C12H18N2O2S |
|---|---|
| Molecular Weight | 254.1089 g/mol |
| LogP | 1.516 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.1089 |
| Monoisotopic Mass | 254.1089 |
| Heavy Atoms | 17 |
| Complexity | 345.51712 |
Chemical Identifiers
| CAS Number | 77-27-0 |
|---|---|
| SMILES | CCCC(C)C1(C(=O)NC(=S)NC1=O)CC=C |
Product Overview
Thiamylal (CAS 77-27-0), with molecular formula C12H18N2O2S and molecular weight 254.1089 g/mol. IUPAC: 5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
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