Chemical ID: 4686422

c1ccc(cc1)CCc2csnn2
Chemical ID:
4686422
Name [?]:
4-phenethylthiadiazole
SMILES [?]:
c1ccc(cc1)CCc2csnn2
InChi [?]:
InChI=1/C10H10N2S/c1-2-4-9(5-3-1)6-7-10-8-13-12-11-10/h1-5,8H,6-7H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,7,8,10,4,9,13,12,11/E:(2,3)(4,5)/rA:13nCCCCCCCCCCSNN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s11;s9d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2S
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:7.58097
Area:367.687
Solvation:-1.61121
Coulombic:-2.84207
Bond Count [?]
All:14
Single:9
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:190.266
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.73
LogP (Chemaxon):2.46

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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