78128-72-0
ETHANETHIOL, 2-((2-PHENYLCYCLOPROPYL)METHYLAMINO)-, HYDROGEN SULFATE (ESTER) (E)-
NameETHANETHIOL, 2-((2-PHENYLCYCLOPROPYL)METHYLAMINO)-, HYDROGEN SULFATE (ESTER) (E)-
1Identification
【Name】
ETHANETHIOL, 2-((2-PHENYLCYCLOPROPYL)METHYLAMINO)-, HYDROGEN SULFATE (ESTER) (E)-
【CAS】
【MDL】
MFCD01728316
【English Synonyms】
【Formula】
C12 H17 N O3 S2
【MolWeight】
287.402
【Inchi】
InChI=1S/C12H17NO3S2/c14-18(15,16)17-7-6-13-9-11-8-12(11)10-4-2-1-3-5-10/h1-5,11-13H,6-9H2,(H,14,15,16)/t11-,12-/m1/s1
【InChIKey】
InChIKey=OIZXEQZVPGEQNG-VXGBXAGGSA-N
【SMILES】
c1ccc(cc1)[C@H]2C[C@@H]2CNCCSS(=O)(=O)O
【MOL File】
ETHANETHIOL, 2-((2-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANETHIOL, 2-((2-PHENYLCYCLOPROPYL)METHYLAMINO)-, HYDROGEN SULFATE (ESTER) (E)-.cml