ChemDB: Chemical Search
Download
Chemical ID: 7091294
Chemical ID:
7091294
Name [?]:
3-chloro-5-(2-thienylsulfanyl)-1,2,4-thiadiazole
SMILES [?]:
c1cc(sc1)Sc2nc(ns2)Cl
InChi [?]:
InChI=1/C6H3ClN2S3/c7-5-8-6(12-9-5)11-4-2-1-3-10-4/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,3,9,7,12,8,10,4,6,11/rA:12nCCCSCSCNCNSCl/rB:s1;d2;s3;d1s4;s3;s6;d7;s8;d9;s7s10;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H3ClN2S3 |
All Atoms: | 15 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60439 |
Area: | 368.335 |
Solvation: | -0.603974 |
Coulombic: | -13.9476 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 234.752 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 1.97 |
LogP (Chemaxon): | 3.74 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|