180301-43-3
CARBAMODITHIOIC ACID, DIETHYL-, 2-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)ETHYL ESTER
NameCARBAMODITHIOIC ACID, DIETHYL-, 2-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)ETHYL ESTER
1Identification
【Name】
CARBAMODITHIOIC ACID, DIETHYL-, 2-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)ETHYL ESTER
【CAS】
【MDL】
MFCD01752000
【English Synonyms】
【Formula】
C14 H21 N5 O2 S2
【MolWeight】
355.485
【Inchi】
InChI=1S/C14H21N5O2S2/c1-5-18(6-2)14(22)23-8-7-19-9-15-11-10(19)12(20)17(4)13(21)16(11)3/h9H,5-8H2,1-4H3
【InChIKey】
InChIKey=WDIRJZXAQSLJGW-UHFFFAOYSA-N
【SMILES】
CCN(CC)C(=S)SCCn1cnc2c1c(=O)n(c(=O)n2C)C
【MOL File】
CARBAMODITHIOIC ACID….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMODITHIOIC ACID, DIETHYL-, 2-(1,2,3,6-TETRAHYDRO-1,3-DIMETHYL-2,6-DIOXO-7H-PURIN-7-YL)ETHYL ESTER.cml