Chemical ID: 4665686

c1ccc(cc1)C(=O)[S-]
Chemical ID:
4665686
Name [?]:
benzenecarbothioate
SMILES [?]:
c1ccc(cc1)C(=O)[S-]
InChi [?]:
InChI=1/C7H6OS/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,8,9/E:(2,3)(4,5)/rA:9nCCCCCCCOS-/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5OS-
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-30.0604
Area:289.267
Solvation:-37.292
Coulombic:9.8418
Bond Count [?]
All:9
Single:5
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:137.18
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.01
LogP (Chemaxon):1.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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