871214-52-7
CARBAMIMIDOTHIOIC ACID, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N-METHYL-, METHYL ESTER
NameCARBAMIMIDOTHIOIC ACID, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N-METHYL-, METHYL ESTER
1Identification
【Name】
CARBAMIMIDOTHIOIC ACID, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N-METHYL-, METHYL ESTER
【CAS】
【MDL】
MFCD16878667
【English Synonyms】
【Formula】
C11 H14 N2 O2 S
【MolWeight】
238.31
【Inchi】
InChI=1S/C11H14N2O2S/c1-13(11(12)16-2)8-3-4-9-10(7-8)15-6-5-14-9/h3-4,7,12H,5-6H2,1-2H3
【InChIKey】
InChIKey=CBFYGNOHOOGCCH-UHFFFAOYSA-N
【SMILES】
CN(c1ccc2c(c1)OCCO2)C(=N)SC
【MOL File】
CARBAMIMIDOTHIOIC AC….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CARBAMIMIDOTHIOIC ACID, N-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-N-METHYL-, METHYL ESTER.cml