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Chemical ID: 7244059
Chemical ID:
7244059
Name [?]:
N-sec-butylbenzothiazol-2-amine
SMILES [?]:
CCC(C)Nc1nc2ccccc2s1
InChi [?]:
InChI=1/C11H14N2S/c1-3-8(2)12-11-13-9-6-4-5-7-10(9)14-11/h4-8H,3H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,4,2,10,11,9,12,3,8,13,6,5,7,14/rA:14cCCCCNCNCCCCCCS/rB:s1;s2;s3;s3;s5;d6;s7;s8;d9;s10;d11;d8s12;s6s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H14N2S |
All Atoms: | 28 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.7677 |
Area: | 386.828 |
Solvation: | -0.903001 |
Coulombic: | -20.1517 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 206.308 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.82 |
LogP (Chemaxon): | 3.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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