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1350636-89-3

1350636-89-3 Structure

1350636-89-3 Structure
IdentificationBack 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 PropertiesBack 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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