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Chemical ID: 7432350
Chemical ID:
7432350
Name [?]:
5-(2-thienylmethyl)-2H-tetrazole
SMILES [?]:
c1cc(sc1)Cc2n[nH]nn2
InChi [?]:
InChI=1/C6H6N4S/c1-2-5(11-3-1)4-6-7-9-10-8-6/h1-3H,4H2,(H,7,8,9,10)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,7,8,11,9,10,4/E:(7,8)(9,10)/rA:11nCCCSCCCNNNN/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;s9;s7d10;/rC:;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H6N4S |
All Atoms: | 17 |
Heavy Atoms: | 11 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.33554 |
Area: | 320.773 |
Solvation: | -1.68379 |
Coulombic: | -9.17122 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 166.205 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.29 |
LogP (Chemaxon): | 1.73 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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