19143-04-5
ETHANETHIOL, 2-(2-(P-METHOXYPHENOXY)BUTYL)AMINO-, HYDROGEN SULFATE (ESTER)
NameETHANETHIOL, 2-(2-(P-METHOXYPHENOXY)BUTYL)AMINO-, HYDROGEN SULFATE (ESTER)
1Identification
【Name】
ETHANETHIOL, 2-(2-(P-METHOXYPHENOXY)BUTYL)AMINO-, HYDROGEN SULFATE (ESTER)
【CAS】
【MDL】
MFCD01728406
【English Synonyms】
【Formula】
C13 H21 N O5 S2
【MolWeight】
335.443
【Inchi】
InChI=1S/C13H21NO5S2/c1-3-11(10-14-8-9-20-21(15,16)17)19-13-6-4-12(18-2)5-7-13/h4-7,11,14H,3,8-10H2,1-2H3,(H,15,16,17)
【InChIKey】
InChIKey=VAWKCKSEPXDHCO-UHFFFAOYSA-N
【SMILES】
CCC(CNCCSS(=O)(=O)O)Oc1ccc(cc1)OC
【MOL File】
ETHANETHIOL, 2-(2-(P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ETHANETHIOL, 2-(2-(P-METHOXYPHENOXY)BUTYL)AMINO-, HYDROGEN SULFATE (ESTER).cml