Chemical ID: 4730074

COc1ccc(cc1)CC(=S)N
Chemical ID:
4730074
Name [?]:
2-(4-methoxyphenyl)thioacetamide
SMILES [?]:
COc1ccc(cc1)CC(=S)N
InChi [?]:
InChI=1/C9H11NOS/c1-11-8-4-2-7(3-5-8)6-9(10)12/h2-5H,6H2,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,5,7,4,8,9,6,3,10,12,2,11/E:(2,3)(4,5)/rA:12nCOCCCCCCCCSN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NOS
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.3108
Area:344.391
Solvation:-2.29897
Coulombic:-24.8409
Bond Count [?]
All:12
Single:8
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:181.256
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):1.29

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Descriptor Annotations

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