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Chemical ID: 6659203
Chemical ID:
6659203
Name [?]:
N-(4-methylsulfanylphenyl)acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)SC
InChi [?]:
InChI=1/C9H11NOS/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,12,6,10,7,9,2,5,8,4,3,11/E:(3,4)(5,6)/rA:12nCCONCCCCCCSC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H11NOS |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.72499 |
Area: | 352.38 |
Solvation: | -2.08452 |
Coulombic: | -20.2557 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 181.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.02 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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