Chemical ID: 4729767

CC(C)(C)C(=O)c1cccs1
Chemical ID:
4729767
Name [?]:
2,2-dimethyl-1-(2-thienyl)propan-1-one
SMILES [?]:
CC(C)(C)C(=O)c1cccs1
InChi [?]:
InChI=1/C9H12OS/c1-9(2,3)8(10)7-5-4-6-11-7/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,9,8,10,7,5,2,6,11/E:(1,2,3)/rA:11nCCCCCOCCCCS/rB:s1;s2;s2;s2;d5;s5;d7;s8;d9;s7s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.79073
Area:320.827
Solvation:-1.22995
Coulombic:-10.3351
Bond Count [?]
All:11
Single:8
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.257
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.63
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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