19143-00-1
ETHANETHIOL, 2-(4-(CYCLOHEXEN-3-YLBUTYL)AMINO)-, HYDROGEN SULFATE (EST ER)
NameETHANETHIOL, 2-(4-(CYCLOHEXEN-3-YLBUTYL)AMINO)-, HYDROGEN SULFATE (EST ER)
1Identification
【Name】
ETHANETHIOL, 2-(4-(CYCLOHEXEN-3-YLBUTYL)AMINO)-, HYDROGEN SULFATE (EST ER)
【CAS】
【MDL】
MFCD01728517
【English Synonyms】
【Formula】
C12 H23 N O3 S2
【MolWeight】
293.45
【Inchi】
InChI=1S/C12H23NO3S2/c14-18(15,16)17-11-10-13-9-5-4-8-12-6-2-1-3-7-12/h1-2,12-13H,3-11H2,(H,14,15,16)
【InChIKey】
InChIKey=DRVHDTQUWCFVON-UHFFFAOYSA-N
【SMILES】
C1CC(CC=C1)CCCCNCCSS(=O)(=O)O
【MOL File】
ETHANETHIOL, 2-(4-(C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANETHIOL, 2-(4-(CYCLOHEXEN-3-YLBUTYL)AMINO)-, HYDROGEN SULFATE (EST ER).cml