Accuracy

ch3ncsr   1509 Methyl isothiocyanate (Geo)

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    #  Species Formula
  1499 3(tert-Butyl)-1-propeneC7H14S
  1500 1-HeptanethiolC7H16S
  1501 Benzyl methyl sulfideC8H10S
  1502 Ethyl phenyl sulfideC8H10S
  1503 Di-tert-butyl sulfideC8H18S
  1504 Diisobutyl sulfideC8H18S
  1505 Diphenyl sulfideC12H10S
  1506 Sulfur nitride (Geo)NS
  1507 Sulfur nitrideNS
  1508 Hydrogen isothiocyanateHCNS
  1509 Methyl isothiocyanate (Geo) C2H3NS
  1510 Methyl isothiocyanateC2H3NS
  1511 Methyl thiocyanateC2H3NS
  1512 EthanethioamideC2H5NS
  1513 4-MethylthiazoleC4H5NS
  1514 BenzothiazoleC7H5NS
  1515 BenzenecarbothioamideC7H8NS
  1516 N,N-(Dimethyl)thiobenzamideC9H11NS
  1517 PhenothiazineC12H9NS
  1518 ThioureaCH4N2S
  1519 TetramethylthioureaC5H12N2S


REF: D. W. W. Anderson, D. W. H. Rankin, A. Robertson, J. Mol. Struct., 14 385 (1972).
  

Methyl isothiocyanate
 GR=ARR1972 <C-N> <C=N> <C-N=C> <C-S>
  N     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  C     1.47900000 +1    0.0000000 +0    0.0000000 +0     1     0     0
 XX     1.00000000 +0   90.0000000 +0    0.0000000 +0     1     2     0
  C     1.19200000 +1  141.6000000 +1    0.0000000 +0     1     2     3
  S     1.59700000 +1  168.9234052 +1  179.9985943 +1     4     1     3
  H     1.10301109 +1  110.2918435 +1   60.0198538 +1     2     1     3
  H     1.10607466 +1  107.7471853 +1  179.1354688 +1     2     1     3
  H     1.10307669 +1  110.2247847 +1  -61.8124449 +1     2     1     3