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Chloromethyl methyl sulfide |
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ID: API-45602 CAS:2373-51-5 Supplier:APIchem SMILES:ClCSC ChemMol.com FORMULA: C2H5ClS
MASS: 96.5791
EXACT MASS: 95.9800488
INTERATOMIC DISTANCES
Cl 1 S 2 C 3 C 4 H 5 H 6
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Cl 1 0.0000
S 2 1.7321 0.0000
C 3 1.0001 1.0000 0.0000
C 4 2.6458 1.0000 1.7320 0.0000
H 5 1.0812 1.5968 0.6200 2.1829 0.0000
H 6 1.5968 1.0812 0.6199 1.4155 0.7971 0.0000
H 7 2.5121 1.1766 1.5200 0.6200 1.8217 1.0254
H 8 3.2380 1.6199 2.2900 0.6200 2.6726 1.8777
H 9 2.9083 1.1766 2.1114 0.6200 2.6420 1.9300
H 7 H 8 H 9
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H 7 0.0000
H 8 0.8768 0.0000
H 9 1.2399 0.8768 0.0000
ATOMIC CHARGES
Cl 1 -0.1138401115
S 2 -0.1482010589
C 3 0.0681849399
C 4 -0.0169814325
H 5 0.0542919464
H 6 0.0542919464
H 7 0.0340845901
H 8 0.0340845901
H 9 0.0340845901
BOND ANGLES
4 2 3 C3 S3 C3 119.999
2 3 5 S3 C3 HC 160.009
2 3 6 S3 C3 HC 80.000
3 2 4 C3 S3 C3 119.999
2 4 7 S3 C3 HC 89.999
2 4 8 S3 C3 HC 179.974
2 4 9 S3 C3 HC 90.001
6 3 5 HC C3 HC 80.009
5 3 6 HC C3 HC 80.009
8 4 7 HC C3 HC 90.000
9 4 7 HC C3 HC 179.974
7 4 8 HC C3 HC 90.000
9 4 8 HC C3 HC 90.000
7 4 9 HC C3 HC 179.974
8 4 9 HC C3 HC 90.000
TORSION ANGLES
4 2 3 1 179.974
4 2 3 5 0.026
4 2 3 6 0.026
3 2 4 7 0.026
3 2 4 8 0.026
3 2 4 9 179.974
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