Chemical ID: 7089080

Cc1cc(cc(c1)N(C)C(=S)Cl)C
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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