Chemical ID: 3991808

Cn1c2ccccc2sc1=N
Chemical ID:
3991808
Name [?]:
3-methylbenzothiazol-2-imine
SMILES [?]:
Cn1c2ccccc2sc1=N
InChi [?]:
InChI=1/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,7,3,8,10,11,2,9/rA:11nCNCCCCCCSCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;w10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8N2S
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.49634
Area:309.663
Solvation:-1.24524
Coulombic:-19.914
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:2.57
LogP (Chemaxon):3.09

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Descriptor Annotations

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