Chemical ID: 6636768

CCC(C)Sc1nc2ccccc2s1
Chemical ID:
6636768
Name [?]:
2-sec-butylsulfanylbenzothiazole
SMILES [?]:
CCC(C)Sc1nc2ccccc2s1
InChi [?]:
InChI=1/C11H13NS2/c1-3-8(2)13-11-12-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,4,2,10,11,9,12,3,8,13,6,7,5,14/rA:14cCCCCSCNCCCCCCS/rB:s1;s2;s3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13NS2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:9.22822
Area:395.514
Solvation:-0.659627
Coulombic:-9.5876
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.36
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.32
LogP (Chemaxon):4.75

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Descriptor Annotations

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