Chemical ID: 4117522

Cc1ccc(cc1)SCC(=O)C
Chemical ID:
4117522
Name [?]:
1-(p-tolylsulfanyl)propan-2-one
SMILES [?]:
Cc1ccc(cc1)SCC(=O)C
InChi [?]:
InChI=1/C10H12OS/c1-8-3-5-10(6-4-8)12-7-9(2)11/h3-6H,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,12,3,7,4,6,9,2,10,5,11,8/E:(3,4)(5,6)/rA:12nCCCCCCCSCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H12OS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.32282
Area:358.62
Solvation:-2.64268
Coulombic:-7.63771
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.268
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.58
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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