25X

1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane

Created:2013-08-30
Last modified:  2014-01-01

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Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count0
Bond Count41
Aromatic Bond Count0
2D diagram of 25X

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Chemical Component Summary

Name1-(sulfamoylamino)methyl-1,2-dicarba-closo-dodecaborane
FormulaC3 H5 B10 N2 O2 S
Molecular Weight241.259
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16
SMILESOpenEye OEToolkits1.7.6B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18[B]47%14%16
Canonical SMILESOpenEye OEToolkits1.7.6 B1234B567B189B212B33%10B454B656B787B911C232B4%105C7612CNS(=O)(=O)N
InChIInChI1.03 InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-2-4(3)6(2)7(2)5(2,3)9(3)8(3,4)10(4,6)12(6,7)11(5,7,9)13(8,9,10)12/h15H,1H2,(H2,14,16,17)
InChIKeyInChI1.03 WQWJNYUSODCUQX-UHFFFAOYSA-N