Chemical ID: 6640977

Cc1ccc2c(c1)nc(s2)C=Cc3ccccc3C
Chemical ID:
6640977
Name [?]:
5-methyl-2-[2-(o-tolyl)vinyl]benzothiazole
SMILES [?]:
Cc1ccc2c(c1)nc(s2)C=Cc3ccccc3C
InChi [?]:
InChI=1/C17H15NS/c1-12-7-9-16-15(11-12)18-17(19-16)10-8-14-6-4-3-5-13(14)2/h3-11H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,16,15,17,14,3,12,4,11,7,2,18,13,6,5,9,8,10/rA:19nCCCCCCCNCSCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s5s9;s9;w11;s12;s13;d14;s15;d16;d13s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15NS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.79509
Area:440.114
Solvation:-1.20775
Coulombic:-9.37789
Bond Count [?]
All:21
Single:13
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:265.374
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.61
LogP (Chemaxon):5.71

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Descriptor Annotations

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