Chemical ID: 5138975

Cc1csc[n+]1C
Chemical ID:
5138975
Name [?]:
3,4-dimethylthiazole
SMILES [?]:
Cc1csc[n+]1C
InChi [?]:
InChI=1/C5H8NS/c1-5-3-7-4-6(5)2/h3-4H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,7,3,5,2,6,4/CRV:6+1/rA:7nCCCSCN+C/rB:s1;d2;s3;s4;s2d5;s6;/rC:;;;;;;;

Chemical Details

Atom Count
Formula:C5H8NS+
All Atoms:7
Heavy Atoms:7
Chiral Atoms:0
ZAP Information [?]
Total:-22.7119
Area:253.159
Solvation:-29.0409
Coulombic:22.443
Bond Count [?]
All:7
Single:5
Double:2
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:114.19
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.15
LogP (Chemaxon):-3.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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