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Chemical ID: 4930363
Chemical ID:
4930363
Name [?]:
4-methyl-2-thiazol-4-yl-phenol
SMILES [?]:
Cc1ccc(c(c1)c2cscn2)O
InChi [?]:
InChI=1/C10H9NOS/c1-7-2-3-10(12)8(4-7)9-5-13-6-11-9/h2-6,12H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,9,11,2,6,8,5,12,13,10/rA:13nCCCCCCCCCSCNO/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s9;s10;s8d11;s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9NOS |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.35292 |
Area: | 346.63 |
Solvation: | -2.31283 |
Coulombic: | -21.46 |
Bond Count [?]
All: | 14 |
Single: | 9 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 191.251 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 2.9 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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