Chemical ID: 7091294

c1cc(sc1)Sc2nc(ns2)Cl
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

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Descriptor Annotations

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