Chemical ID: 4089999

c1ccc(cc1)c2nc(=N)sn2c3ccccc3
Chemical ID:
4089999
Name [?]:
2,3-diphenyl-1,2,4-thiadiazol-5-imine
SMILES [?]:
c1ccc(cc1)c2nc(=N)sn2c3ccccc3
InChi [?]:
InChI=1/C14H11N3S/c15-14-16-13(11-7-3-1-4-8-11)17(18-14)12-9-5-2-6-10-12/h1-10,15H
InChi Info:
AuxInfo=1/0/N:1,16,2,6,15,17,3,5,14,18,4,13,7,9,10,8,12,11/E:(3,4)(5,6)(7,8)(9,10)/rA:18nCCCCCCCNCNSNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;w9;s9;s7s11;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H11N3S
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.03178
Area:420.231
Solvation:-1.474
Coulombic:-26.6879
Bond Count [?]
All:20
Single:12
Double:8
Rotors:2
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:253.323
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:4.33
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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