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Chemical ID: 6520519
Chemical ID:
6520519
Name [?]:
N-isopropyl-N-methyl-3-(5-methyl-2-thienyl)-thiophen-2-amine
SMILES [?]:
Cc1ccc(s1)c2ccsc2N(C)C(C)C
InChi [?]:
InChI=1/C13H17NS2/c1-9(2)14(4)13-11(7-8-15-13)12-6-5-10(3)16-12/h5-9H,1-4H3
InChi Info:
AuxInfo=1/0/N:15,16,1,13,3,4,8,9,14,2,7,5,11,12,10,6/E:(1,2)/rA:16cCCCCCSCCCSCNCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s11;s12;s12;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H17NS2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.10022 |
Area: | 423.42 |
Solvation: | -1.48527 |
Coulombic: | -8.81923 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 251.413 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.28 |
LogP (Chemaxon): | 3.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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