Chemical ID: 3995871

c1ccc2c(c1)cccc2CSc3nnc(s3)S
Chemical ID:
3995871
Name [?]:
5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazole-2-thiol
SMILES [?]:
c1ccc2c(c1)cccc2CSc3nnc(s3)S
InChi [?]:
InChI=1/C13H10N2S3/c16-12-14-15-13(18-12)17-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,9,3,11,5,10,4,16,13,15,14,18,12,17/rA:18nCCCCCCCCCCCSCNNCSS/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;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:10.4053
Area:473.764
Solvation:-1.43875
Coulombic:-10.3498
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue