Mrv0541 02241204322D          

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M  END
> <DATABASE_ID>
T3D0932

> <DATABASE_NAME>
t3db

> <SMILES>
CN(SSN(C)C(=O)OC1=CC=CC2=C1OC(C)(C)C2)C(=O)OC1=CC=C2OC(C)(C)CC2=C1

> <INCHI_IDENTIFIER>
InChI=1S/C24H28N2O6S2/c1-23(2)14-16-12-17(10-11-18(16)31-23)29-21(27)25(5)33-34-26(6)22(28)30-19-9-7-8-15-13-24(3,4)32-20(15)19/h7-12H,13-14H2,1-6H3

> <INCHI_KEY>
RNNGCAGZVZIHNF-UHFFFAOYSA-N

> <FORMULA>
C24H28N2O6S2

> <MOLECULAR_WEIGHT>
504.619

> <EXACT_MASS>
504.138878018

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
53.06929926874864

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl N-[({[(2,2-dimethyl-2,3-dihydro-1-benzofuran-5-yl)oxy]carbonyl}(methyl)amino)disulfanyl]-N-methylcarbamate

> <ALOGPS_LOGP>
4.90

> <JCHEM_LOGP>
5.729648558666667

> <ALOGPS_LOGS>
-5.67

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.605888953125783

> <JCHEM_POLAR_SURFACE_AREA>
77.54

> <JCHEM_REFRACTIVITY>
129.0988

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.07e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,2-dimethyl-3H-1-benzofuran-7-yl N-[({[(2,2-dimethyl-3H-1-benzofuran-5-yl)oxy]carbonyl}(methyl)amino)disulfanyl]-N-methylcarbamate

> <JCHEM_VEBER_RULE>
0

> <T3DB_ID>
T3D0932

> <NAME>
Biscarbofuran N,N'-disulfide

> <CAS>
39995-74-9

> <SYNONYMS>
Biscarbofuran n,n'-disulfide; Biscarbofuran N,n'-disulfide

> <TYPES>
Organic Compound; Pesticide; Ether; Ester; Carbamate; Synthetic Compound

$$$$