Chemical ID: 4734682

c1ccc2c(c1)ccs2
Chemical ID:
4734682
Name [?]:
benzothiophene
SMILES [?]:
c1ccc2c(c1)ccs2
InChi [?]:
InChI=1/C8H6S/c1-2-4-8-7(3-1)5-6-9-8/h1-6H
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,8,5,4,9/rA:9nCCCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.24055
Area:276.233
Solvation:-0.665268
Coulombic:-2.66885
Bond Count [?]
All:10
Single:6
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:134.199
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.8
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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