Chemical ID: 4748528

CSC(=CC(=O)c1ccc(cc1)Cl)SC
Chemical ID:
4748528
Name [?]:
1-(4-chlorophenyl)-3,3-bis(methylsulfanyl)prop-2-en-1-one
SMILES [?]:
CSC(=CC(=O)c1ccc(cc1)Cl)SC
InChi [?]:
InChI=1/C11H11ClOS2/c1-14-11(15-2)7-10(13)8-3-5-9(12)6-4-8/h3-7H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,15,8,12,9,11,4,7,10,5,3,13,6,2,14/E:(1,2)(3,4)(5,6)(14,15)/rA:15nCSCCCOCCCCCCClSC/rB:s1;s2;d3;s4;d5;s5;s7;d8;s9;d10;d7s11;s10;s3;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11ClOS2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:8.94887
Area:441.119
Solvation:-2.07911
Coulombic:-10.8316
Bond Count [?]
All:15
Single:10
Double:5
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:258.789
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.97
LogP (Chemaxon):4.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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