Chemical ID: 6520519

Cc1ccc(s1)c2ccsc2N(C)C(C)C
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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