25Y

1-(sulfamoylamino)methyl-1,7-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 25Y

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Chemical Component Summary

Name1-(sulfamoylamino)methyl-1,7-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]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19
SMILESOpenEye OEToolkits1.7.6B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N
Canonical SMILESCACTVS3.385 N[S](=O)(=O)NC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]%11%13([B]47%12%18)[C]%14%16%17%19
Canonical SMILESOpenEye OEToolkits1.7.6 B1234B567B189B212B33%10B454B656B787C911B232B715C4%1062CNS(=O)(=O)N
InChIInChI1.03 InChI=1S/C3H5B10N2O2S/c14-18(16,17)15-1-3-4-2-5(3,4)7(2)8(2)6(2,4)9(3,4)11(3)10(3,5,7)13(7,8,11)12(6,8,9)11/h15H,1H2,(H2,14,16,17)
InChIKeyInChI1.03 FSWDGZNQHMMSCQ-UHFFFAOYSA-N