121421-45-2
Carbamic acid, [(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, phenylmethyl ester
NameCarbamic acid, [(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, phenylmethyl ester
1Identification
【Name】
Carbamic acid, [(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, phenylmethyl ester
【CAS】
【MDL】
【English Synonyms】
【Formula】
C13H19NO3S
【MolWeight】
269.36
【Inchi】
InChI=1S/C13H19NO3S/c1-18-8-7-12(9-15)14-13(16)17-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3,(H,14,16)/t12-/m0/s1
【InChIKey】
InChIKey=QMBHBNHURNGTAS-LBPRGKRZSA-N
【SMILES】
OC[C@H](CCSC)NC(OCC1=CC=CC=C1)=O
【MOL File】
Carbamic acid, [(1S)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:0
XLogP3:0.0
Bulk/Fine:
3Material Safety Data Sheet(MSDS)
4CML File
Carbamic acid, [(1S)-1-(hydroxymethyl)-3-(methylthio)propyl]-, phenylmethyl ester.cml