Chemical ID: 4736549

Cc1ccc(cc1)CS
Chemical ID:
4736549
Name [?]:
p-tolylmethanethiol
SMILES [?]:
Cc1ccc(cc1)CS
InChi [?]:
InChI=1/C8H10S/c1-7-2-4-8(6-9)5-3-7/h2-5,9H,6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,3,7,4,6,8,2,5,9/E:(2,3)(4,5)/rA:9nCCCCCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H10S
All Atoms:9
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:6.57444
Area:300.541
Solvation:-0.939072
Coulombic:-4.15539
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:138.231
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.83
LogP (Chemaxon):2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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