105544-62-5
2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Name
2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
Formula
C12 H16 N2 O2 S2
MolWeight
284.402
1Identification
【Name】
2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD02140142
【English Synonyms】
【Formula】
C12 H16 N2 O2 S2
【MolWeight】
284.402
【Inchi】
InChI=1S/C12H16N2O2S2/c1-2-16-11(15)9-7-5-3-4-6-8(7)18-10(9)14-12(13)17/h2-6H2,1H3,(H3,13,14,17)
【InChIKey】
InChIKey=QIZMMLSECPIAHV-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1c2c(sc1NC(=S)N)CCCC2
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-THIOUREIDO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID ETHYL ESTER.cml
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