Chemical ID: 7090026

CN(c1cccc(c1)OC)C(=S)Cl
Chemical ID:
7090026
Name [?]:
[(3-methoxyphenyl)-methyl-amino]methanethioyl chloride
SMILES [?]:
CN(c1cccc(c1)OC)C(=S)Cl
InChi [?]:
InChI=1/C9H10ClNOS/c1-11(9(10)13)7-4-3-5-8(6-7)12-2/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,5,4,6,8,3,7,11,13,2,9,12/rA:13nCNCCCCCCOCCSCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s2;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H10ClNOS
All Atoms:23
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.51033
Area:377.938
Solvation:-1.93812
Coulombic:-16.4029
Bond Count [?]
All:13
Single:9
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:215.701
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.66
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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