Chemical ID: 6679416

CCC(=S)C=C1N(c2cc(ccc2S1)C)CC
Chemical ID:
6679416
Name [?]:
1-(3-ethyl-5-methyl-benzothiazol-2-ylidene)butane-2-thione
SMILES [?]:
CCC(=S)C=C1N(c2cc(ccc2S1)C)CC
InChi [?]:
InChI=1/C14H17NS2/c1-4-11(16)9-14-15(5-2)12-8-10(3)6-7-13(12)17-14/h6-9H,4-5H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,17,15,2,16,11,12,9,5,10,3,8,13,6,7,4,14/rA:17nCCCSCCNCCCCCCSCCC/rB:s1;s2;d3;s3;w5;s6;s7;s8;d9;s10;d11;d8s12;s6s13;s10;s7;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H17NS2
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:10.0041
Area:437.402
Solvation:-0.930956
Coulombic:-9.00859
Bond Count [?]
All:18
Single:13
Double:5
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:263.424
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.95
LogP (Chemaxon):5.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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