Chemical ID: 5005666

Cc1ccc2c(c1)[nH]c(=N)s2
Chemical ID:
5005666
Name [?]:
5-methyl-3H-benzothiazol-2-imine
SMILES [?]:
Cc1ccc2c(c1)[nH]c(=N)s2
InChi [?]:
InChI=1/C8H8N2S/c1-5-2-3-7-6(4-5)10-8(9)11-7/h2-4H,1H3,(H2,9,10)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,2,6,5,9,10,8,11/rA:11nCCCCCCCNCNS/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;w9;s5s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.71605
Area:313.664
Solvation:-1.12555
Coulombic:-24.4627
Bond Count [?]
All:12
Single:8
Double:4
Rotors:0
Chiral:1
Rigid Segments:1
Chemical Properties
Molecular Weight:164.229
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:2.71
LogP (Chemaxon):3.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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