Chemical ID: 5439634

c1ccc2cc(ccc2c1)CSc3nnc(s3)S
Chemical ID:
5439634
Name [?]:
5-(2-naphthylmethylsulfanyl)-1,3,4-thiadiazole-2-thiol
SMILES [?]:
c1ccc2cc(ccc2c1)CSc3nnc(s3)S
InChi [?]:
InChI=1/C13H10N2S3/c16-12-14-15-13(18-12)17-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,10,3,7,8,5,11,6,9,4,16,13,15,14,18,12,17/rA:18nCCCCCCCCCCCSCNNCSS/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;s11;s12;d13;s14;d15;s13s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10N2S3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.5709
Area:480.189
Solvation:-1.43379
Coulombic:-10.2968
Bond Count [?]
All:20
Single:13
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:290.43
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:4.77
LogP (Chemaxon):4.29

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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