175203-70-0
3-[(2-HYDROXYETHYL)THIO]-6-NITRO-2,3-DIHYDRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE
Name
3-[(2-HYDROXYETHYL)THIO]-6-NITRO-2,3-DIHYDRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE
Formula
C10 H11 N O5 S2
MolWeight
289.331
1Identification
【Name】
3-[(2-HYDROXYETHYL)THIO]-6-NITRO-2,3-DIHYDRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE
【CAS】
【MDL】
MFCD00203984
【English Synonyms】
【Formula】
C10 H11 N O5 S2
【MolWeight】
289.331
【Inchi】
InChI=1S/C10H11NO5S2/c12-3-4-17-9-6-18(15,16)10-5-7(11(13)14)1-2-8(9)10/h1-2,5,9,12H,3-4,6H2
【InChIKey】
InChIKey=FLAITYNRCKZPST-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1[N+](=O)[O-])S(=O)(=O)CC2SCCO
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-[(2-HYDROXYETHYL)THIO]-6-NITRO-2,3-DIHYDRO-1H-1LAMBDA6-BENZO[B]THIOPHENE-1,1-DIONE.cml
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