Chemical ID: 5058347

Cc1[n+](c2cc(ccc2s1)OC)C
Chemical ID:
5058347
Name [?]:
5-methoxy-2,3-dimethyl-benzothiazole
SMILES [?]:
Cc1[n+](c2cc(ccc2s1)OC)C
InChi [?]:
InChI=1/C10H12NOS/c1-7-11(2)9-6-8(12-3)4-5-10(9)13-7/h4-6H,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,13,12,7,8,5,2,6,4,9,3,11,10/CRV:11+1/rA:13nCCN+CCCCCCSOCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s6;s11;s3;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12NOS+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-19.3378
Area:353.041
Solvation:-28.1639
Coulombic:12.7159
Bond Count [?]
All:14
Single:10
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:194.274
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.71
LogP (Chemaxon):-1.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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