| Identification | Back Directory | [Name]
{(1R,2R,4R)-4-[(tert-butoxycarbonyl)-amino]-2-hydroxy-cyclohexyl} benzene-carbothioate | [CAS]
1350636-89-3 | [Synonyms]
S-[(1R,2R,4R)-4-(Boc-amino)-2-hydroxycyclohexyl] Benzothioate
S-((1R,2R,4R)-4-((tert-butoxycarbonyl)amino)-2-hydroxycyclohexyl) benzothioate
{(1R,2R,4R)-4-[(tert-butoxycarbonyl)-amino]-2-hydroxy-cyclohexyl} benzene-carbothioate | [Molecular Formula]
C18H25NO4S | [MOL File]
1350636-89-3.mol | [Molecular Weight]
351.46 |
| Chemical Properties | Back Directory | [Boiling point ]
501.4±50.0 °C(Predicted) | [density ]
1.21±0.1 g/cm3(Predicted) | [pka]
11.89±0.60(Predicted) | [InChI]
InChI=1S/C18H25NO4S/c1-18(2,3)23-17(22)19-13-9-10-15(14(20)11-13)24-16(21)12-7-5-4-6-8-12/h4-8,13-15,20H,9-11H2,1-3H3,(H,19,22)/t13-,14-,15-/m1/s1 | [InChIKey]
LHDLTHNHAQHWQB-RBSFLKMASA-N | [SMILES]
C1(C(S[C@@H]2CC[C@@H](NC(OC(C)(C)C)=O)C[C@H]2O)=O)=CC=CC=C1 |
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