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Chemical ID: 7089080
Chemical ID:
7089080
Name [?]:
[(3,5-dimethylphenyl)-methyl-amino]methanethioyl chloride
SMILES [?]:
Cc1cc(cc(c1)N(C)C(=S)Cl)C
InChi [?]:
InChI=1/C10H12ClNS/c1-7-4-8(2)6-9(5-7)12(3)10(11)13/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,13,9,3,7,5,2,4,6,10,12,8,11/E:(1,2)(5,6)(7,8)/rA:13nCCCCCCCNCCSClC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s8;d10;s10;s4;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNS |
All Atoms: | 25 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.00284 |
Area: | 384.215 |
Solvation: | -0.602538 |
Coulombic: | -9.70813 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 213.728 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.62 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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