Chemical ID: 7432350

c1cc(sc1)Cc2n[nH]nn2
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

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Descriptor Annotations

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