Chemical ID: 4513970

CC[n+]1c(sc2c1ccc(c2)OC)C
Chemical ID:
4513970
Name [?]:
3-ethyl-6-methoxy-2-methyl-benzothiazole
SMILES [?]:
CC[n+]1c(sc2c1ccc(c2)OC)C
InChi [?]:
InChI=1/C11H14NOS/c1-4-12-8(2)14-11-7-9(13-3)5-6-10(11)12/h5-7H,4H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,14,13,2,9,8,11,4,10,7,6,3,12,5/CRV:12+1/rA:14nCCN+CSCCCCCCOCC/rB:s1;s2;d3;s4;s5;s3s6;d7;s8;d9;d6s10;s10;s12;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14NOS+
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:-18.5257
Area:371.678
Solvation:-27.8176
Coulombic:12.5446
Bond Count [?]
All:15
Single:11
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:208.301
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.13
LogP (Chemaxon):-1.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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